N-[(3-acetamidophenyl)methyl]-1H-indole-4-carboxamide

C18H17N3O2 — CID 86723918

IUPACN-[(3-acetamidophenyl)methyl]-1H-indole-4-carboxamide
SMILESCC(=O)Nc1cccc(CNC(=O)c2cccc3[nH]ccc23)c1
InChIInChI=1S/C18H17N3O2/c1-12(22)21-14-5-2-4-13(10-14)11-20-18(23)16-6-3-7-17-15(16)8-9-19-17/h2-10,19H,11H2,1H3,(H,20,23)(H,21,22)
InChIKeyDCRXFONQUMERSO-UHFFFAOYSA-N
MW307.35 g/mol
LogP3.06
Rot. Bonds4

About N-[(3-acetamidophenyl)methyl]-1H-indole-4-carboxamide

N-[(3-acetamidophenyl)methyl]-1H-indole-4-carboxamide (PubChem CID 86723918) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is N-[(3-acetamidophenyl)methyl]-1H-indole-4-carboxamide.

Molecular Properties

Compound NameN-[(3-acetamidophenyl)methyl]-1H-indole-4-carboxamide
PubChem CID86723918
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC NameN-[(3-acetamidophenyl)methyl]-1H-indole-4-carboxamide
SMILESCC(=O)Nc1cccc(CNC(=O)c2cccc3[nH]ccc23)c1
InChIInChI=1S/C18H17N3O2/c1-12(22)21-14-5-2-4-13(10-14)11-20-18(23)16-6-3-7-17-15(16)8-9-19-17/h2-10,19H,11H2,1H3,(H,20,23)(H,21,22)
InChIKeyDCRXFONQUMERSO-UHFFFAOYSA-N
XLogP3.06
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[(3-acetamidophenyl)methylamino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide
CID 47056675
N-[(3-acetamidophenyl)methyl]-2-ethoxy-3-fluorobenzamide
CID 71995172
N-[[3-(butanoylamino)phenyl]methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 60515059
N-(1H-pyrazol-4-ylmethyl)-1H-indole-4-carboxamide
CID 61003404
N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1H-indole-4-carboxamide
CID 63283681
N-(2-hydroxypropyl)-1H-indole-4-carboxamide
CID 43501200
N-[(3-acetamidophenyl)methyl]pyridine-2-carboxamide
CID 46477958
1H-indole-4-carbohydrazide
CID 43316644
N-[(2,4-difluorophenyl)methyl]-1H-indole-4-carboxamide
CID 62227209
5-acetamido-N-(1H-indol-4-ylmethyl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 177177101
N-(3-methyl-2-propan-2-ylbutyl)-1H-indole-4-carboxamide
CID 102907617
N-(3-ethyl-2-hydroxypentyl)-1H-indole-4-carboxamide
CID 103723441

Frequently Asked Questions

What is the IUPAC name of N-[(3-acetamidophenyl)methyl]-1H-indole-4-carboxamide?
The IUPAC name of N-[(3-acetamidophenyl)methyl]-1H-indole-4-carboxamide (CID 86723918) is N-[(3-acetamidophenyl)methyl]-1H-indole-4-carboxamide.
What is the SMILES notation for N-[(3-acetamidophenyl)methyl]-1H-indole-4-carboxamide?
The canonical SMILES for N-[(3-acetamidophenyl)methyl]-1H-indole-4-carboxamide is CC(=O)Nc1cccc(CNC(=O)c2cccc3[nH]ccc23)c1.
What is the InChIKey of N-[(3-acetamidophenyl)methyl]-1H-indole-4-carboxamide?
The InChIKey is DCRXFONQUMERSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-12(22)21-14-5-2-4-13(10-14)11-20-18(23)16-6-3-7-17-15(16)8-9-19-17/h2-10,19H,11H2,1H3,(H,20,23)(H,21,22).
What are the key properties of N-[(3-acetamidophenyl)methyl]-1H-indole-4-carboxamide?
N-[(3-acetamidophenyl)methyl]-1H-indole-4-carboxamide has a molecular weight of 307.35 g/mol, XLogP of 3.06, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-acetamidophenyl)methyl]-1H-indole-4-carboxamide is sourced from PubChem (CID 86723918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).