1364415
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8
10
22
27
17
9
17
33
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8
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1
1
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1
1
2
1
1
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1
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2
1
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1
2
2
1
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2
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1
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1
1
5
255
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12.7619
4.6783
13.7619
9.2619
9.2619
4.6783
6.2619
5.2619
8.2619
3.732
3.732
6.7619
6.7619
7.7619
7.7619
10.7619
9.7619
2.866
2.866
11.2619
11.2619
12.7619
12.2619
12.2619
2
2
14.2619
15.2619
6.4519
6.4519
8.0719
8.0719
9.5719
2.866
2.866
10.9519
10.9519
12.5719
1.4631
1.4631
13.6793
14.3695
15.2619
15.8819
15.2619
1.232
1.1708
-0.5
-1.366
0.366
-0.4387
0.366
0.366
0.366
0.866
-0.134
1.232
-0.5
1.232
-0.5
-0.5
-0.5
1.366
-0.634
0.366
-1.366
-0.5
0.366
-1.366
0.866
-0.134
-1.366
-1.366
1.769
-1.0369
1.769
-1.0369
0.903
1.986
-1.254
0.903
-1.903
-1.903
1.176
-0.444
-1.5781
-1.9766
-1.986
-1.366
-0.746
8
8
8
8
8
8
8
8
8
8
8
8
8
8
8
8
8
8
8
8
8
8
2
2
6
6
7
7
9
9
10
10
11
12
13
16
16
18
19
20
21
22
22
25
8
10
8
11
12
13
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11
18
19
14
15
20
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25
26
23
24
23
24
26
0
Compound
Canonicalized
5
2011.04.04
1
Compound Complexity
7
E_COMPLEXITY
3.402
Cactvs
xemistry.com
2012.05.21
526
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.402
Cactvs
xemistry.com
2012.05.21
4
Count
Hydrogen Bond Donor
5
E_NHDONORS
3.402
Cactvs
xemistry.com
2012.05.21
1
Count
Rotatable Bond
5
E_NROTBONDS
3.402
Cactvs
xemistry.com
2012.05.21
5
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.402
Cactvs
xemistry.com
2012.05.21
00000371E07B30000400000000000000000000000001600000003060C000000000005801F400001E02100000000C0EA19E2232C6B2C81440A803A57254048288202F6760089821B76FD80E26B3C5B7BB8F3928E4D411D8E98798DD23DE28000020000018005000004000003000000000000000
IUPAC Name
Allowed
1
2.1.0
LexiChem
openeye.com
2012.05.21
N-[4-(1,3-benzoxazol-2-yl)phenyl]-3-chloro-4-ethoxy-benzamide
IUPAC Name
CAS-like Style
1
2.1.0
LexiChem
openeye.com
2012.05.21
N-[4-(1,3-benzoxazol-2-yl)phenyl]-3-chloro-4-ethoxybenzamide
IUPAC Name
Preferred
1
2.1.0
LexiChem
openeye.com
2012.05.21
N-[4-(1,3-benzoxazol-2-yl)phenyl]-3-chloro-4-ethoxybenzamide
IUPAC Name
Systematic
1
2.1.0
LexiChem
openeye.com
2012.05.21
N-[4-(1,3-benzoxazol-2-yl)phenyl]-3-chloranyl-4-ethoxy-benzamide
IUPAC Name
Traditional
1
2.1.0
LexiChem
openeye.com
2012.05.21
N-[4-(1,3-benzoxazol-2-yl)phenyl]-3-chloro-4-ethoxy-benzamide
InChI
Standard
1
1.0.4
InChI
iupac.org
2012.05.21
InChI=1S/C22H17ClN2O3/c1-2-27-19-12-9-15(13-17(19)23)21(26)24-16-10-7-14(8-11-16)22-25-18-5-3-4-6-20(18)28-22/h3-13H,2H2,1H3,(H,24,26)
InChIKey
Standard
1
1.0.4
InChI
iupac.org
2012.05.21
SMXHEDDPVRZWOC-UHFFFAOYSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2012.05.21
5.2
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
392.09277
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
C22H17ClN2O3
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
392.83498
SMILES
Canonical
1
1.7.6
OEChem
openeye.com
2012.05.21
CCOC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)C3=NC4=CC=CC=C4O3)Cl
SMILES
Isomeric
1
1.7.6
OEChem
openeye.com
2012.05.21
CCOC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)C3=NC4=CC=CC=C4O3)Cl
Topological
Polar Surface Area
7
E_TPSA
3.402
Cactvs
xemistry.com
2012.05.21
64.4
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
392.09277
28
0
0
0
0
0
0
0
1
4