4-acetyl-N-benzhydryl-N,3,5-trimethyl-1H-pyrrole-2-carboxamide

C23H24N2O2 — CID 2091172

IUPAC4-acetyl-N-benzhydryl-N,3,5-trimethyl-1H-pyrrole-2-carboxamide
SMILESCC(=O)c1c(C)[nH]c(C(=O)N(C)C(c2ccccc2)c2ccccc2)c1C
InChIInChI=1S/C23H24N2O2/c1-15-20(17(3)26)16(2)24-21(15)23(27)25(4)22(18-11-7-5-8-12-18)19-13-9-6-10-14-19/h5-14,22,24H,1-4H3
InChIKeyIPFMNSZGSOGJDX-UHFFFAOYSA-N
MW360.46 g/mol
LogP4.70
Rot. Bonds5

About 4-acetyl-N-benzhydryl-N,3,5-trimethyl-1H-pyrrole-2-carboxamide

4-acetyl-N-benzhydryl-N,3,5-trimethyl-1H-pyrrole-2-carboxamide (PubChem CID 2091172) has the molecular formula C23H24N2O2 and a molecular weight of 360.46 g/mol. Its IUPAC name is 4-acetyl-N-benzhydryl-N,3,5-trimethyl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-acetyl-N-benzhydryl-N,3,5-trimethyl-1H-pyrrole-2-carboxamide
PubChem CID2091172
Molecular FormulaC23H24N2O2
Molecular Weight360.46 g/mol
Exact Mass360.18
IUPAC Name4-acetyl-N-benzhydryl-N,3,5-trimethyl-1H-pyrrole-2-carboxamide
SMILESCC(=O)c1c(C)[nH]c(C(=O)N(C)C(c2ccccc2)c2ccccc2)c1C
InChIInChI=1S/C23H24N2O2/c1-15-20(17(3)26)16(2)24-21(15)23(27)25(4)22(18-11-7-5-8-12-18)19-13-9-6-10-14-19/h5-14,22,24H,1-4H3
InChIKeyIPFMNSZGSOGJDX-UHFFFAOYSA-N
XLogP4.70
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-acetyl-3,5-dimethyl-1H-pyrrole-2-carbonyl)-methylamino]propanoic acid
CID 119209304
1-phenylethyl 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate
CID 16500468
4-acetyl-N-[(1R)-1-cyclopropylethyl]-N,3,5-trimethyl-1H-pyrrole-2-carboxamide
CID 51547417
4-acetyl-3,5-dimethyl-N-(2-methyl-1-phenylpropyl)-1H-pyrrole-2-carboxamide
CID 46530467
[(2R)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl] (2S)-2-hydroxy-2-phenylacetate
CID 8647709
[(2R)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl]-[(1R)-2-methyl-1-phenylpropyl]azanium
CID 9133171
[(2S)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl]-[(1R)-2-methyl-1-phenylpropyl]azanium
CID 9133173
[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl] (2R,3S)-3-methyl-2-phenylpentanoate
CID 7772273
1-[5-(4-benzoylpiperazine-1-carbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]ethanone
CID 4800505
4-acetyl-N-[furan-2-yl(phenyl)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 134029345
[(2S)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl] (2S,3S)-3-methyl-2-phenylpentanoate
CID 8886155
(2S)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[methyl(2-phenoxyethyl)amino]propan-1-one
CID 8754963

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-benzhydryl-N,3,5-trimethyl-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-acetyl-N-benzhydryl-N,3,5-trimethyl-1H-pyrrole-2-carboxamide (CID 2091172) is 4-acetyl-N-benzhydryl-N,3,5-trimethyl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-acetyl-N-benzhydryl-N,3,5-trimethyl-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-acetyl-N-benzhydryl-N,3,5-trimethyl-1H-pyrrole-2-carboxamide is CC(=O)c1c(C)[nH]c(C(=O)N(C)C(c2ccccc2)c2ccccc2)c1C.
What is the InChIKey of 4-acetyl-N-benzhydryl-N,3,5-trimethyl-1H-pyrrole-2-carboxamide?
The InChIKey is IPFMNSZGSOGJDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O2/c1-15-20(17(3)26)16(2)24-21(15)23(27)25(4)22(18-11-7-5-8-12-18)19-13-9-6-10-14-19/h5-14,22,24H,1-4H3.
What are the key properties of 4-acetyl-N-benzhydryl-N,3,5-trimethyl-1H-pyrrole-2-carboxamide?
4-acetyl-N-benzhydryl-N,3,5-trimethyl-1H-pyrrole-2-carboxamide has a molecular weight of 360.46 g/mol, XLogP of 4.70, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-benzhydryl-N,3,5-trimethyl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 2091172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).