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3.9003
4.2663
5.2663
5.1722
6.4984
5.6323
3.2152
4.815
8.7291
3.2152
2.269
3.7988
2.269
3.5259
1.403
1.403
4.7988
4.5044
0.5369
0.5369
5.7935
6.1042
6.4614
7.7506
7.0827
7.4399
9.0397
8.3719
10.0182
8.6825
10.3289
9.661
4.7663
5.6323
3.5053
2.912
3.4078
1.403
1.403
4.7988
5.4188
4.7988
0
0
4.401
5.6901
6.2688
7.2753
7.854
9.1431
7.7652
10.4323
8.2685
10.9356
9.8537
7.0353
0.366
1.732
0
7.2019
0.866
2.366
5.18
8.8967
9.7216
6.7894
6.4847
5.9847
5.4847
7.74
6.9847
4.9847
5.9847
7.9462
6.4847
5.4847
9.1029
10.0534
8.3586
9.5154
10.2597
8.5648
10.6721
11.4164
10.8783
12.3669
11.8288
12.5731
0.866
1.366
8.3596
7.8273
4.5906
7.6047
4.3647
5.3647
5.9847
6.6047
6.7947
5.1747
9.3582
10.5149
7.7693
10.849
8.1034
9.2601
11.2885
10.4168
12.8284
11.9567
13.1625
1.176
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0
Compound
Canonicalized
5
2011.09.13
1
Compound Complexity
7
E_COMPLEXITY
3.408
Cactvs
xemistry.com
2012.11.26
565
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.408
Cactvs
xemistry.com
2012.11.26
7
Count
Hydrogen Bond Donor
5
E_NHDONORS
3.408
Cactvs
xemistry.com
2012.11.26
4
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
00000371E07B31800000000000000000000000000001600000003060C000000000005801F400001F00100800000C08819E1032C8F2C99200A80325F25C008280202102200899213064980820F2C09591842008609400C8C8071C89C09E80008000000200000001000000040000000000000000
IUPAC Name
Allowed
1
2.2.0
LexiChem
openeye.com
2012.11.26
N-(4-anilinophenyl)-2-(2-methyl-1H-indol-3-yl)acetamide;2,2,2-trifluoroacetic acid
IUPAC Name
CAS-like Style
1
2.2.0
LexiChem
openeye.com
2012.11.26
N-(4-anilinophenyl)-2-(2-methyl-1H-indol-3-yl)acetamide;2,2,2-trifluoroacetic acid
IUPAC Name
Preferred
1
2.2.0
LexiChem
openeye.com
2012.11.26
N-(4-anilinophenyl)-2-(2-methyl-1H-indol-3-yl)acetamide;2,2,2-trifluoroacetic acid
IUPAC Name
Systematic
1
2.2.0
LexiChem
openeye.com
2012.11.26
2-(2-methyl-1H-indol-3-yl)-N-(4-phenylazanylphenyl)ethanamide;2,2,2-tris(fluoranyl)ethanoic acid
IUPAC Name
Traditional
1
2.2.0
LexiChem
openeye.com
2012.11.26
N-(4-anilinophenyl)-2-(2-methyl-1H-indol-3-yl)acetamide;2,2,2-trifluoroacetic acid
InChI
Standard
1
1.0.4
InChI
iupac.org
2012.11.26
InChI=1S/C23H21N3O.C2HF3O2/c1-16-21(20-9-5-6-10-22(20)24-16)15-23(27)26-19-13-11-18(12-14-19)25-17-7-3-2-4-8-17;3-2(4,5)1(6)7/h2-14,24-25H,15H2,1H3,(H,26,27);(H,6,7)
InChIKey
Standard
1
1.0.4
InChI
iupac.org
2012.11.26
LKDUOSJXYBXLMU-UHFFFAOYSA-N
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
469.161326
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
C25H22F3N3O3
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
469.45569
SMILES
Canonical
1
1.9.0
OEChem
openeye.com
2012.11.26
CC1=C(C2=CC=CC=C2N1)CC(=O)NC3=CC=C(C=C3)NC4=CC=CC=C4.C(=O)(C(F)(F)F)O
SMILES
Isomeric
1
1.9.0
OEChem
openeye.com
2012.11.26
CC1=C(C2=CC=CC=C2N1)CC(=O)NC3=CC=C(C=C3)NC4=CC=CC=C4.C(=O)(C(F)(F)F)O
Topological
Polar Surface Area
7
E_TPSA
3.408
Cactvs
xemistry.com
2012.11.26
94.2
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
469.161326
34
0
0
0
0
0
0
0
2
3