N-(3-acetamido-4-methylphenyl)-3H-benzo[e]indole-2-carboxamide

C22H19N3O2 — CID 87019067

IUPACN-(3-acetamido-4-methylphenyl)-3H-benzo[e]indole-2-carboxamide
SMILESCC(=O)Nc1cc(NC(=O)c2cc3c(ccc4ccccc43)[nH]2)ccc1C
InChIInChI=1S/C22H19N3O2/c1-13-7-9-16(11-20(13)23-14(2)26)24-22(27)21-12-18-17-6-4-3-5-15(17)8-10-19(18)25-21/h3-12,25H,1-2H3,(H,23,26)(H,24,27)
InChIKeyATFYOHHNSHQSQW-UHFFFAOYSA-N
MW357.41 g/mol
LogP4.84
Rot. Bonds3

About N-(3-acetamido-4-methylphenyl)-3H-benzo[e]indole-2-carboxamide

N-(3-acetamido-4-methylphenyl)-3H-benzo[e]indole-2-carboxamide (PubChem CID 87019067) has the molecular formula C22H19N3O2 and a molecular weight of 357.41 g/mol. Its IUPAC name is N-(3-acetamido-4-methylphenyl)-3H-benzo[e]indole-2-carboxamide.

Molecular Properties

Compound NameN-(3-acetamido-4-methylphenyl)-3H-benzo[e]indole-2-carboxamide
PubChem CID87019067
Molecular FormulaC22H19N3O2
Molecular Weight357.41 g/mol
Exact Mass357.15
IUPAC NameN-(3-acetamido-4-methylphenyl)-3H-benzo[e]indole-2-carboxamide
SMILESCC(=O)Nc1cc(NC(=O)c2cc3c(ccc4ccccc43)[nH]2)ccc1C
InChIInChI=1S/C22H19N3O2/c1-13-7-9-16(11-20(13)23-14(2)26)24-22(27)21-12-18-17-6-4-3-5-15(17)8-10-19(18)25-21/h3-12,25H,1-2H3,(H,23,26)(H,24,27)
InChIKeyATFYOHHNSHQSQW-UHFFFAOYSA-N
XLogP4.84
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 54.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-acetamido-3-methylphenyl)-5-methyl-1H-indole-2-carboxamide
CID 46550602
N-(2-methylsulfonylethyl)-3H-benzo[e]indole-2-carboxamide
CID 71889496
N-(3-acetamido-4-methylphenyl)-4-(phenylcarbamoylamino)benzamide
CID 55847462
N-(3-acetamido-4-methoxyphenyl)-4,6-dimethyl-1H-indole-2-carboxamide
CID 134050967
3H-benzo[e]indole-2-carboxamide
CID 69052139
N-(3-acetamido-4-methylphenyl)-2-anilinobenzamide
CID 47058047
N-(3-acetamido-4-methylphenyl)-2-iodobenzamide
CID 54777055
N-[4-(3-oxopiperazin-1-yl)phenyl]-3H-benzo[e]indole-2-carboxamide
CID 86991457
N-(3-acetamido-4-methylphenyl)-2-naphthalen-2-yloxyacetamide
CID 54777087
N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1H-indole-2-carboxamide
CID 42982780
N-(3-acetamido-4-methylphenyl)-6-chloropyridine-2-carboxamide
CID 62235289
N-(4-hydroxy-2,2-dimethylpentyl)-3H-benzo[e]indole-2-carboxamide
CID 111480381

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamido-4-methylphenyl)-3H-benzo[e]indole-2-carboxamide?
The IUPAC name of N-(3-acetamido-4-methylphenyl)-3H-benzo[e]indole-2-carboxamide (CID 87019067) is N-(3-acetamido-4-methylphenyl)-3H-benzo[e]indole-2-carboxamide.
What is the SMILES notation for N-(3-acetamido-4-methylphenyl)-3H-benzo[e]indole-2-carboxamide?
The canonical SMILES for N-(3-acetamido-4-methylphenyl)-3H-benzo[e]indole-2-carboxamide is CC(=O)Nc1cc(NC(=O)c2cc3c(ccc4ccccc43)[nH]2)ccc1C.
What is the InChIKey of N-(3-acetamido-4-methylphenyl)-3H-benzo[e]indole-2-carboxamide?
The InChIKey is ATFYOHHNSHQSQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O2/c1-13-7-9-16(11-20(13)23-14(2)26)24-22(27)21-12-18-17-6-4-3-5-15(17)8-10-19(18)25-21/h3-12,25H,1-2H3,(H,23,26)(H,24,27).
What are the key properties of N-(3-acetamido-4-methylphenyl)-3H-benzo[e]indole-2-carboxamide?
N-(3-acetamido-4-methylphenyl)-3H-benzo[e]indole-2-carboxamide has a molecular weight of 357.41 g/mol, XLogP of 4.84, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamido-4-methylphenyl)-3H-benzo[e]indole-2-carboxamide is sourced from PubChem (CID 87019067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).