5-methyl-N-[[3-(phenylcarbamoyl)phenyl]methyl]-1H-indole-2-carboxamide

C24H21N3O2 — CID 46475216

IUPAC5-methyl-N-[[3-(phenylcarbamoyl)phenyl]methyl]-1H-indole-2-carboxamide
SMILESCc1ccc2[nH]c(C(=O)NCc3cccc(C(=O)Nc4ccccc4)c3)cc2c1
InChIInChI=1S/C24H21N3O2/c1-16-10-11-21-19(12-16)14-22(27-21)24(29)25-15-17-6-5-7-18(13-17)23(28)26-20-8-3-2-4-9-20/h2-14,27H,15H2,1H3,(H,25,29)(H,26,28)
InChIKeyAIDGYDPRKIALMJ-UHFFFAOYSA-N
MW383.45 g/mol
LogP4.66
Rot. Bonds5

About 5-methyl-N-[[3-(phenylcarbamoyl)phenyl]methyl]-1H-indole-2-carboxamide

5-methyl-N-[[3-(phenylcarbamoyl)phenyl]methyl]-1H-indole-2-carboxamide (PubChem CID 46475216) has the molecular formula C24H21N3O2 and a molecular weight of 383.45 g/mol. Its IUPAC name is 5-methyl-N-[[3-(phenylcarbamoyl)phenyl]methyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[[3-(phenylcarbamoyl)phenyl]methyl]-1H-indole-2-carboxamide
PubChem CID46475216
Molecular FormulaC24H21N3O2
Molecular Weight383.45 g/mol
Exact Mass383.16
IUPAC Name5-methyl-N-[[3-(phenylcarbamoyl)phenyl]methyl]-1H-indole-2-carboxamide
SMILESCc1ccc2[nH]c(C(=O)NCc3cccc(C(=O)Nc4ccccc4)c3)cc2c1
InChIInChI=1S/C24H21N3O2/c1-16-10-11-21-19(12-16)14-22(27-21)24(29)25-15-17-6-5-7-18(13-17)23(28)26-20-8-3-2-4-9-20/h2-14,27H,15H2,1H3,(H,25,29)(H,26,28)
InChIKeyAIDGYDPRKIALMJ-UHFFFAOYSA-N
XLogP4.66
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 54.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

5-methyl-N-phenyl-1H-indole-2-carboxamide
CID 3254922
5-methyl-N-[[3-(2-methylpropanoylamino)phenyl]methyl]-1H-indole-2-carboxamide
CID 36868472
N-[[3-(dimethylcarbamoyl)phenyl]methyl]-5-fluoro-1H-indole-2-carboxamide
CID 46415642
N-[[4-(methanesulfonamido)phenyl]methyl]-5-methyl-1H-indole-2-carboxamide
CID 47057856
N-benzyl-5-fluoro-1H-indole-2-carboxamide;ethane
CID 144936015
N-(4-acetylphenyl)-5-methyl-1H-indole-2-carboxamide
CID 110861116
3-[[[2-(2,4-dimethylphenoxy)acetyl]amino]methyl]-N-phenylbenzamide
CID 46475227
5-chloro-N-[[3-(2-methylpropanoylamino)phenyl]methyl]-1H-indole-2-carboxamide
CID 46558117
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-5-methyl-1H-indole-2-carboxamide
CID 36752954
N-benzyl-5-fluoro-1H-indole-2-carboxamide;hydrochloride
CID 44666094
3-[[[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]methyl]-N-phenylbenzamide
CID 46466168
methyl 5-(benzylcarbamoyl)-1H-indole-2-carboxylate
CID 129094981

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[[3-(phenylcarbamoyl)phenyl]methyl]-1H-indole-2-carboxamide?
The IUPAC name of 5-methyl-N-[[3-(phenylcarbamoyl)phenyl]methyl]-1H-indole-2-carboxamide (CID 46475216) is 5-methyl-N-[[3-(phenylcarbamoyl)phenyl]methyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 5-methyl-N-[[3-(phenylcarbamoyl)phenyl]methyl]-1H-indole-2-carboxamide?
The canonical SMILES for 5-methyl-N-[[3-(phenylcarbamoyl)phenyl]methyl]-1H-indole-2-carboxamide is Cc1ccc2[nH]c(C(=O)NCc3cccc(C(=O)Nc4ccccc4)c3)cc2c1.
What is the InChIKey of 5-methyl-N-[[3-(phenylcarbamoyl)phenyl]methyl]-1H-indole-2-carboxamide?
The InChIKey is AIDGYDPRKIALMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O2/c1-16-10-11-21-19(12-16)14-22(27-21)24(29)25-15-17-6-5-7-18(13-17)23(28)26-20-8-3-2-4-9-20/h2-14,27H,15H2,1H3,(H,25,29)(H,26,28).
What are the key properties of 5-methyl-N-[[3-(phenylcarbamoyl)phenyl]methyl]-1H-indole-2-carboxamide?
5-methyl-N-[[3-(phenylcarbamoyl)phenyl]methyl]-1H-indole-2-carboxamide has a molecular weight of 383.45 g/mol, XLogP of 4.66, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[[3-(phenylcarbamoyl)phenyl]methyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 46475216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).