N-(2-anilino-2-oxo-1-phenylethyl)-6-methyl-1H-indole-2-carboxamide

C24H21N3O2 — CID 55963560

IUPACN-(2-anilino-2-oxo-1-phenylethyl)-6-methyl-1H-indole-2-carboxamide
SMILESCc1ccc2cc(C(=O)NC(C(=O)Nc3ccccc3)c3ccccc3)[nH]c2c1
InChIInChI=1S/C24H21N3O2/c1-16-12-13-18-15-21(26-20(18)14-16)23(28)27-22(17-8-4-2-5-9-17)24(29)25-19-10-6-3-7-11-19/h2-15,22,26H,1H3,(H,25,29)(H,27,28)
InChIKeyQIXDMUQKAHUXGD-UHFFFAOYSA-N
MW383.45 g/mol
LogP4.59
Rot. Bonds5

About N-(2-anilino-2-oxo-1-phenylethyl)-6-methyl-1H-indole-2-carboxamide

N-(2-anilino-2-oxo-1-phenylethyl)-6-methyl-1H-indole-2-carboxamide (PubChem CID 55963560) has the molecular formula C24H21N3O2 and a molecular weight of 383.45 g/mol. Its IUPAC name is N-(2-anilino-2-oxo-1-phenylethyl)-6-methyl-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-(2-anilino-2-oxo-1-phenylethyl)-6-methyl-1H-indole-2-carboxamide
PubChem CID55963560
Molecular FormulaC24H21N3O2
Molecular Weight383.45 g/mol
Exact Mass383.16
IUPAC NameN-(2-anilino-2-oxo-1-phenylethyl)-6-methyl-1H-indole-2-carboxamide
SMILESCc1ccc2cc(C(=O)NC(C(=O)Nc3ccccc3)c3ccccc3)[nH]c2c1
InChIInChI=1S/C24H21N3O2/c1-16-12-13-18-15-21(26-20(18)14-16)23(28)27-22(17-8-4-2-5-9-17)24(29)25-19-10-6-3-7-11-19/h2-15,22,26H,1H3,(H,25,29)(H,27,28)
InChIKeyQIXDMUQKAHUXGD-UHFFFAOYSA-N
XLogP4.59
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 ≤ 54.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

6-methyl-N-propan-2-yl-1H-indole-2-carboxamide
CID 110847855
N-methyl-5-[[2-(4-methylanilino)-2-oxo-1-phenylethyl]amino]-1H-indole-2-carboxamide
CID 166223466
5-methyl-N-phenyl-1H-indole-2-carboxamide
CID 3254922
6-methyl-N-[4-(propan-2-ylcarbamoylamino)phenyl]-1H-indole-2-carboxamide
CID 134002788
5-methyl-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide
CID 7322417
3-(3-bromophenyl)-3-[(6-methyl-1H-indole-2-carbonyl)amino]propanoic acid
CID 119192479
(3R)-3-(3-bromophenyl)-3-[(6-methyl-1H-indole-2-carbonyl)amino]propanoic acid
CID 124699211
N-(2,6-dimethylphenyl)-6-methyl-1H-indole-2-carboxamide
CID 113207344
5-chloro-N-[2-oxo-2-[4-(2-oxo-1-pyridinyl)anilino]-1-phenylethyl]-1H-indole-2-carboxamide
CID 10368587
N-(2-amino-1-phenylprop-2-enyl)-1H-indole-2-carboxamide
CID 70373696
6-methyl-N-[4-(trifluoromethyl)phenyl]-1H-indole-2-carboxamide
CID 113207376
N-(3-methoxyphenyl)-6-methyl-1H-indole-2-carboxamide
CID 113207365

Frequently Asked Questions

What is the IUPAC name of N-(2-anilino-2-oxo-1-phenylethyl)-6-methyl-1H-indole-2-carboxamide?
The IUPAC name of N-(2-anilino-2-oxo-1-phenylethyl)-6-methyl-1H-indole-2-carboxamide (CID 55963560) is N-(2-anilino-2-oxo-1-phenylethyl)-6-methyl-1H-indole-2-carboxamide.
What is the SMILES notation for N-(2-anilino-2-oxo-1-phenylethyl)-6-methyl-1H-indole-2-carboxamide?
The canonical SMILES for N-(2-anilino-2-oxo-1-phenylethyl)-6-methyl-1H-indole-2-carboxamide is Cc1ccc2cc(C(=O)NC(C(=O)Nc3ccccc3)c3ccccc3)[nH]c2c1.
What is the InChIKey of N-(2-anilino-2-oxo-1-phenylethyl)-6-methyl-1H-indole-2-carboxamide?
The InChIKey is QIXDMUQKAHUXGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O2/c1-16-12-13-18-15-21(26-20(18)14-16)23(28)27-22(17-8-4-2-5-9-17)24(29)25-19-10-6-3-7-11-19/h2-15,22,26H,1H3,(H,25,29)(H,27,28).
What are the key properties of N-(2-anilino-2-oxo-1-phenylethyl)-6-methyl-1H-indole-2-carboxamide?
N-(2-anilino-2-oxo-1-phenylethyl)-6-methyl-1H-indole-2-carboxamide has a molecular weight of 383.45 g/mol, XLogP of 4.59, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-anilino-2-oxo-1-phenylethyl)-6-methyl-1H-indole-2-carboxamide is sourced from PubChem (CID 55963560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).