(2S)-N-benzhydryl-2-phenyl-2-pyrrol-1-ylacetamide

C25H22N2O — CID 95367608

IUPAC(2S)-N-benzhydryl-2-phenyl-2-pyrrol-1-ylacetamide
SMILESO=C(NC(c1ccccc1)c1ccccc1)[C@H](c1ccccc1)n1cccc1
InChIInChI=1S/C25H22N2O/c28-25(24(27-18-10-11-19-27)22-16-8-3-9-17-22)26-23(20-12-4-1-5-13-20)21-14-6-2-7-15-21/h1-19,23-24H,(H,26,28)/t24-/m0/s1
InChIKeySZGZRBXBEMASDR-DEOSSOPVSA-N
MW366.46 g/mol
LogP4.98
Rot. Bonds6

About (2S)-N-benzhydryl-2-phenyl-2-pyrrol-1-ylacetamide

(2S)-N-benzhydryl-2-phenyl-2-pyrrol-1-ylacetamide (PubChem CID 95367608) has the molecular formula C25H22N2O and a molecular weight of 366.46 g/mol. Its IUPAC name is (2S)-N-benzhydryl-2-phenyl-2-pyrrol-1-ylacetamide.

Molecular Properties

Compound Name(2S)-N-benzhydryl-2-phenyl-2-pyrrol-1-ylacetamide
PubChem CID95367608
Molecular FormulaC25H22N2O
Molecular Weight366.46 g/mol
Exact Mass366.17
IUPAC Name(2S)-N-benzhydryl-2-phenyl-2-pyrrol-1-ylacetamide
SMILESO=C(NC(c1ccccc1)c1ccccc1)[C@H](c1ccccc1)n1cccc1
InChIInChI=1S/C25H22N2O/c28-25(24(27-18-10-11-19-27)22-16-8-3-9-17-22)26-23(20-12-4-1-5-13-20)21-14-6-2-7-15-21/h1-19,23-24H,(H,26,28)/t24-/m0/s1
InChIKeySZGZRBXBEMASDR-DEOSSOPVSA-N
XLogP4.98
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-chlorophenyl)-2-phenyl-2-pyrrol-1-ylacetamide
CID 52992841
2-phenyl-2-pyrrol-1-yl-N-(1,3-thiazol-2-yl)acetamide
CID 52992847
N-[2-(4-hydroxyphenyl)ethyl]-2-phenyl-2-pyrrol-1-ylacetamide
CID 121240272
(2S)-N-benzhydryl-2-chloropropanamide
CID 2113355
N-benzhydryl-2-sulfanylpropanamide
CID 107022267
(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-phenyl-2-pyrrol-1-ylacetamide
CID 52907271
(2R)-N-(4-chloro-2-pyridinyl)-2-phenyl-2-pyrrol-1-ylacetamide
CID 110205428
(2R)-N-(4-bromo-3-methylphenyl)-2-phenyl-2-pyrrol-1-ylacetamide
CID 95367609
2-phenyl-2-pyrrol-1-yl-N-quinolin-5-ylacetamide
CID 52992860
N-benzhydryl-2-(4-hydroxypiperidin-1-yl)propanamide
CID 51167538
(2S)-N-benzhydryl-2-(4-methylpiperazin-1-yl)propanamide
CID 1439178
(E,2S)-N-benzhydryl-2-hydroxy-4-phenylbut-3-enamide
CID 138982001

Frequently Asked Questions

What is the IUPAC name of (2S)-N-benzhydryl-2-phenyl-2-pyrrol-1-ylacetamide?
The IUPAC name of (2S)-N-benzhydryl-2-phenyl-2-pyrrol-1-ylacetamide (CID 95367608) is (2S)-N-benzhydryl-2-phenyl-2-pyrrol-1-ylacetamide.
What is the SMILES notation for (2S)-N-benzhydryl-2-phenyl-2-pyrrol-1-ylacetamide?
The canonical SMILES for (2S)-N-benzhydryl-2-phenyl-2-pyrrol-1-ylacetamide is O=C(NC(c1ccccc1)c1ccccc1)[C@H](c1ccccc1)n1cccc1.
What is the InChIKey of (2S)-N-benzhydryl-2-phenyl-2-pyrrol-1-ylacetamide?
The InChIKey is SZGZRBXBEMASDR-DEOSSOPVSA-N. The full InChI is InChI=1S/C25H22N2O/c28-25(24(27-18-10-11-19-27)22-16-8-3-9-17-22)26-23(20-12-4-1-5-13-20)21-14-6-2-7-15-21/h1-19,23-24H,(H,26,28)/t24-/m0/s1.
What are the key properties of (2S)-N-benzhydryl-2-phenyl-2-pyrrol-1-ylacetamide?
(2S)-N-benzhydryl-2-phenyl-2-pyrrol-1-ylacetamide has a molecular weight of 366.46 g/mol, XLogP of 4.98, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-benzhydryl-2-phenyl-2-pyrrol-1-ylacetamide is sourced from PubChem (CID 95367608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).