4-[[[1-[(4-chlorophenyl)methyl]-2,3-dihydroindole-7-carbonyl]amino]methyl]benzoic acid

C24H21ClN2O3 — CID 143593194

IUPAC4-[[[1-[(4-chlorophenyl)methyl]-2,3-dihydroindole-7-carbonyl]amino]methyl]benzoic acid
SMILESO=C(O)c1ccc(CNC(=O)c2cccc3c2N(Cc2ccc(Cl)cc2)CC3)cc1
InChIInChI=1S/C24H21ClN2O3/c25-20-10-6-17(7-11-20)15-27-13-12-18-2-1-3-21(22(18)27)23(28)26-14-16-4-8-19(9-5-16)24(29)30/h1-11H,12-15H2,(H,26,28)(H,29,30)
InChIKeyVOEODULEXDGGQQ-UHFFFAOYSA-N
MW420.90 g/mol
LogP4.53
Rot. Bonds6

About 4-[[[1-[(4-chlorophenyl)methyl]-2,3-dihydroindole-7-carbonyl]amino]methyl]benzoic acid

4-[[[1-[(4-chlorophenyl)methyl]-2,3-dihydroindole-7-carbonyl]amino]methyl]benzoic acid (PubChem CID 143593194) has the molecular formula C24H21ClN2O3 and a molecular weight of 420.90 g/mol. Its IUPAC name is 4-[[[1-[(4-chlorophenyl)methyl]-2,3-dihydroindole-7-carbonyl]amino]methyl]benzoic acid.

Molecular Properties

Compound Name4-[[[1-[(4-chlorophenyl)methyl]-2,3-dihydroindole-7-carbonyl]amino]methyl]benzoic acid
PubChem CID143593194
Molecular FormulaC24H21ClN2O3
Molecular Weight420.90 g/mol
Exact Mass420.12
IUPAC Name4-[[[1-[(4-chlorophenyl)methyl]-2,3-dihydroindole-7-carbonyl]amino]methyl]benzoic acid
SMILESO=C(O)c1ccc(CNC(=O)c2cccc3c2N(Cc2ccc(Cl)cc2)CC3)cc1
InChIInChI=1S/C24H21ClN2O3/c25-20-10-6-17(7-11-20)15-27-13-12-18-2-1-3-21(22(18)27)23(28)26-14-16-4-8-19(9-5-16)24(29)30/h1-11H,12-15H2,(H,26,28)(H,29,30)
InChIKeyVOEODULEXDGGQQ-UHFFFAOYSA-N
XLogP4.53
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.90
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[[[1-[(4-chlorophenyl)methyl]-2,3-dihydroindole-7-carbonyl]amino]methyl]benzoic acid with MolForge

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Related Compounds

1-[(4-chlorophenyl)methyl]-3,4-dihydro-2H-quinoline-8-carboxylic acid
CID 58307054
4-[1-[[5-chloro-1-[(4-chlorophenyl)methyl]-2,3-dihydroindole-7-carbonyl]amino]ethyl]benzoic acid
CID 70903620
1-(1-benzyl-2,3-dihydroindol-7-yl)ethanone
CID 115107236
4-[[(2,3-difluorobenzoyl)amino]methyl]benzoic acid
CID 62648639
4-[[(5-chloro-2-iodobenzoyl)amino]methyl]benzoic acid
CID 103790087
N-[(4-chlorophenyl)methyl]-2-(2,3-dihydroindol-1-yl)acetamide
CID 2654337
2-chloro-N-[1-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methylamino]-1-oxopropan-2-yl]benzamide
CID 46461248
N-[[1-(4-chlorobenzoyl)-2,3-dihydroindol-6-yl]methyl]-2-fluorobenzamide
CID 53099088
4-(benzamidomethyl)benzoic acid
CID 10879683
4-[[(4-chlorophenyl)methylamino]methyl]benzoic acid;hydrochloride
CID 6458865
2-amino-N-[(4-chlorophenyl)methyl]benzamide
CID 7312564
5-chloro-1-[(4-chlorophenyl)methyl]-N-(cyclohexylmethyl)-2,3-dihydroindole-7-carboxamide;formic acid
CID 143893743

Frequently Asked Questions

What is the IUPAC name of 4-[[[1-[(4-chlorophenyl)methyl]-2,3-dihydroindole-7-carbonyl]amino]methyl]benzoic acid?
The IUPAC name of 4-[[[1-[(4-chlorophenyl)methyl]-2,3-dihydroindole-7-carbonyl]amino]methyl]benzoic acid (CID 143593194) is 4-[[[1-[(4-chlorophenyl)methyl]-2,3-dihydroindole-7-carbonyl]amino]methyl]benzoic acid.
What is the SMILES notation for 4-[[[1-[(4-chlorophenyl)methyl]-2,3-dihydroindole-7-carbonyl]amino]methyl]benzoic acid?
The canonical SMILES for 4-[[[1-[(4-chlorophenyl)methyl]-2,3-dihydroindole-7-carbonyl]amino]methyl]benzoic acid is O=C(O)c1ccc(CNC(=O)c2cccc3c2N(Cc2ccc(Cl)cc2)CC3)cc1.
What is the InChIKey of 4-[[[1-[(4-chlorophenyl)methyl]-2,3-dihydroindole-7-carbonyl]amino]methyl]benzoic acid?
The InChIKey is VOEODULEXDGGQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN2O3/c25-20-10-6-17(7-11-20)15-27-13-12-18-2-1-3-21(22(18)27)23(28)26-14-16-4-8-19(9-5-16)24(29)30/h1-11H,12-15H2,(H,26,28)(H,29,30).
What are the key properties of 4-[[[1-[(4-chlorophenyl)methyl]-2,3-dihydroindole-7-carbonyl]amino]methyl]benzoic acid?
4-[[[1-[(4-chlorophenyl)methyl]-2,3-dihydroindole-7-carbonyl]amino]methyl]benzoic acid has a molecular weight of 420.90 g/mol, XLogP of 4.53, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[1-[(4-chlorophenyl)methyl]-2,3-dihydroindole-7-carbonyl]amino]methyl]benzoic acid is sourced from PubChem (CID 143593194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).