4-[[(5,6-dimethyl-2,3-dihydroindole-1-carbonyl)amino]methyl]benzoic acid

C19H20N2O3 — CID 122020416

IUPAC4-[[(5,6-dimethyl-2,3-dihydroindole-1-carbonyl)amino]methyl]benzoic acid
SMILESCc1cc2c(cc1C)N(C(=O)NCc1ccc(C(=O)O)cc1)CC2
InChIInChI=1S/C19H20N2O3/c1-12-9-16-7-8-21(17(16)10-13(12)2)19(24)20-11-14-3-5-15(6-4-14)18(22)23/h3-6,9-10H,7-8,11H2,1-2H3,(H,20,24)(H,22,23)
InChIKeyZAIRHKXCMNGKRU-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.27
Rot. Bonds3

About 4-[[(5,6-dimethyl-2,3-dihydroindole-1-carbonyl)amino]methyl]benzoic acid

4-[[(5,6-dimethyl-2,3-dihydroindole-1-carbonyl)amino]methyl]benzoic acid (PubChem CID 122020416) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is 4-[[(5,6-dimethyl-2,3-dihydroindole-1-carbonyl)amino]methyl]benzoic acid.

Molecular Properties

Compound Name4-[[(5,6-dimethyl-2,3-dihydroindole-1-carbonyl)amino]methyl]benzoic acid
PubChem CID122020416
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name4-[[(5,6-dimethyl-2,3-dihydroindole-1-carbonyl)amino]methyl]benzoic acid
SMILESCc1cc2c(cc1C)N(C(=O)NCc1ccc(C(=O)O)cc1)CC2
InChIInChI=1S/C19H20N2O3/c1-12-9-16-7-8-21(17(16)10-13(12)2)19(24)20-11-14-3-5-15(6-4-14)18(22)23/h3-6,9-10H,7-8,11H2,1-2H3,(H,20,24)(H,22,23)
InChIKeyZAIRHKXCMNGKRU-UHFFFAOYSA-N
XLogP3.27
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-5-fluoro-2,3-dihydroindole-1-carboxamide
CID 110747443
4-[[(1-acetyl-2,3-dihydroindol-5-yl)amino]methyl]benzoic acid
CID 110452215
1-(2,3-dimethylbutylcarbamoyl)-2,3-dihydroindole-5-carboxylic acid
CID 64596792
1-(3-aminopropylcarbamoyl)-2,3-dihydroindole-6-carboxylic acid
CID 113382414
1-(2-methylbutylcarbamoyl)-2,3-dihydroindole-5-carboxylic acid
CID 62691645
N-benzyl-5-fluoro-3,4-dihydro-2H-quinoline-1-carboxamide
CID 154782506
4-[[[4-(5-fluoro-2,3-dihydroindol-1-yl)piperidine-1-carbonyl]amino]methyl]benzoic acid
CID 122020504
4-amino-N-benzyl-2,3-dihydroindole-1-carboxamide
CID 107653024
(6-amino-5-methyl-2,3-dihydroindol-1-yl)-(4-ethylphenyl)methanone
CID 83210065
4-[(piperazine-1-carbonylamino)methyl]benzoic acid
CID 61405049
4-[[[4-(2-methylpropanoyl)piperazine-1-carbonyl]amino]methyl]benzoic acid
CID 122019575
4-[[[4-[2-(2-methylphenyl)acetyl]piperazine-1-carbonyl]amino]methyl]benzoic acid
CID 122019626

Frequently Asked Questions

What is the IUPAC name of 4-[[(5,6-dimethyl-2,3-dihydroindole-1-carbonyl)amino]methyl]benzoic acid?
The IUPAC name of 4-[[(5,6-dimethyl-2,3-dihydroindole-1-carbonyl)amino]methyl]benzoic acid (CID 122020416) is 4-[[(5,6-dimethyl-2,3-dihydroindole-1-carbonyl)amino]methyl]benzoic acid.
What is the SMILES notation for 4-[[(5,6-dimethyl-2,3-dihydroindole-1-carbonyl)amino]methyl]benzoic acid?
The canonical SMILES for 4-[[(5,6-dimethyl-2,3-dihydroindole-1-carbonyl)amino]methyl]benzoic acid is Cc1cc2c(cc1C)N(C(=O)NCc1ccc(C(=O)O)cc1)CC2.
What is the InChIKey of 4-[[(5,6-dimethyl-2,3-dihydroindole-1-carbonyl)amino]methyl]benzoic acid?
The InChIKey is ZAIRHKXCMNGKRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-12-9-16-7-8-21(17(16)10-13(12)2)19(24)20-11-14-3-5-15(6-4-14)18(22)23/h3-6,9-10H,7-8,11H2,1-2H3,(H,20,24)(H,22,23).
What are the key properties of 4-[[(5,6-dimethyl-2,3-dihydroindole-1-carbonyl)amino]methyl]benzoic acid?
4-[[(5,6-dimethyl-2,3-dihydroindole-1-carbonyl)amino]methyl]benzoic acid has a molecular weight of 324.38 g/mol, XLogP of 3.27, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(5,6-dimethyl-2,3-dihydroindole-1-carbonyl)amino]methyl]benzoic acid is sourced from PubChem (CID 122020416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).