69786088
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255
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8.9282
2
9.7942
8.9282
5.4641
7.1962
6.3301
7.1962
4.5981
3.732
6.3301
8.0622
4.5981
8.0622
2.866
8.0622
7.1962
8.0622
3.732
3.732
2.866
8.9282
7.1962
8.9282
7.1962
8.0622
10.6603
5.4641
5.7932
6.6592
8.5991
5.135
2.3291
7.1962
4.352
3.732
3.112
3.732
6.6592
9.4651
6.6592
8.0622
10.9703
11.1972
10.3503
-3.25
-3.25
1.25
-0.25
-1.25
-0.25
-1.75
-1.25
-1.75
-1.25
-2.75
-1.75
-2.75
1.25
-1.75
0.25
-3.25
-2.75
-0.25
-3.25
-2.75
1.75
1.75
2.75
2.75
3.25
1.75
-0.63
-3.06
0.06
-1.44
-3.06
-1.44
-3.87
-0.25
0.37
-0.25
-3.87
1.44
3.06
3.06
3.87
1.2131
2.06
2.2869
8
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26
0
Compound
Canonicalized
5
2012.11.26
1
Compound Complexity
7
E_COMPLEXITY
3.408
Cactvs
xemistry.com
2012.11.26
493
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.408
Cactvs
xemistry.com
2012.11.26
3
Count
Hydrogen Bond Donor
5
E_NHDONORS
3.408
Cactvs
xemistry.com
2012.11.26
2
Count
Rotatable Bond
5
E_NROTBONDS
3.408
Cactvs
xemistry.com
2012.11.26
5
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.408
Cactvs
xemistry.com
2012.11.26
00000371E07B30000003000000000000000000000000000000003060C0000000000000015000001E00300000000C0C83980232C682C00400880225525000820800252200088801067CC80C6676C4B59B94316866F411C8E98798C8208E00000000000A00200000000000140040000000000000
IUPAC Name
Allowed
1
2.2.0
LexiChem
openeye.com
2012.11.26
N-[5-iodo-2-(4-iodo-2-methyl-anilino)phenyl]-2-methoxy-benzamide
IUPAC Name
CAS-like Style
1
2.2.0
LexiChem
openeye.com
2012.11.26
N-[5-iodo-2-(4-iodo-2-methylanilino)phenyl]-2-methoxybenzamide
IUPAC Name
Preferred
1
2.2.0
LexiChem
openeye.com
2012.11.26
N-[5-iodo-2-(4-iodo-2-methylanilino)phenyl]-2-methoxybenzamide
IUPAC Name
Systematic
1
2.2.0
LexiChem
openeye.com
2012.11.26
N-[5-iodanyl-2-[(4-iodanyl-2-methyl-phenyl)amino]phenyl]-2-methoxy-benzamide
IUPAC Name
Traditional
1
2.2.0
LexiChem
openeye.com
2012.11.26
N-[5-iodo-2-(4-iodo-2-methyl-anilino)phenyl]-2-methoxy-benzamide
InChI
Standard
1
1.0.4
InChI
iupac.org
2012.11.26
InChI=1S/C21H18I2N2O2/c1-13-11-14(22)7-9-17(13)24-18-10-8-15(23)12-19(18)25-21(26)16-5-3-4-6-20(16)27-2/h3-12,24H,1-2H3,(H,25,26)
InChIKey
Standard
1
1.0.4
InChI
iupac.org
2012.11.26
UXFHNOCKVHDILA-UHFFFAOYSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2012.11.26
5.9
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
583.945774
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
C21H18I2N2O2
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
584.18876
SMILES
Canonical
1
1.9.0
OEChem
openeye.com
2012.11.26
CC1=C(C=CC(=C1)I)NC2=C(C=C(C=C2)I)NC(=O)C3=CC=CC=C3OC
SMILES
Isomeric
1
1.9.0
OEChem
openeye.com
2012.11.26
CC1=C(C=CC(=C1)I)NC2=C(C=C(C=C2)I)NC(=O)C3=CC=CC=C3OC
Topological
Polar Surface Area
7
E_TPSA
3.408
Cactvs
xemistry.com
2012.11.26
50.4
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
583.945774
27
0
0
0
0
0
0
0
1
2