1-acetyl-N-[(4-chlorophenyl)-phenylmethyl]pyrrolidine-2-carboxamide

C20H21ClN2O2 — CID 78798467

IUPAC1-acetyl-N-[(4-chlorophenyl)-phenylmethyl]pyrrolidine-2-carboxamide
SMILESCC(=O)N1CCCC1C(=O)NC(c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C20H21ClN2O2/c1-14(24)23-13-5-8-18(23)20(25)22-19(15-6-3-2-4-7-15)16-9-11-17(21)12-10-16/h2-4,6-7,9-12,18-19H,5,8,13H2,1H3,(H,22,25)
InChIKeyBMCKESAULYONBA-UHFFFAOYSA-N
MW356.85 g/mol
LogP3.56
Rot. Bonds4

About 1-acetyl-N-[(4-chlorophenyl)-phenylmethyl]pyrrolidine-2-carboxamide

1-acetyl-N-[(4-chlorophenyl)-phenylmethyl]pyrrolidine-2-carboxamide (PubChem CID 78798467) has the molecular formula C20H21ClN2O2 and a molecular weight of 356.85 g/mol. Its IUPAC name is 1-acetyl-N-[(4-chlorophenyl)-phenylmethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-[(4-chlorophenyl)-phenylmethyl]pyrrolidine-2-carboxamide
PubChem CID78798467
Molecular FormulaC20H21ClN2O2
Molecular Weight356.85 g/mol
Exact Mass356.13
IUPAC Name1-acetyl-N-[(4-chlorophenyl)-phenylmethyl]pyrrolidine-2-carboxamide
SMILESCC(=O)N1CCCC1C(=O)NC(c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C20H21ClN2O2/c1-14(24)23-13-5-8-18(23)20(25)22-19(15-6-3-2-4-7-15)16-9-11-17(21)12-10-16/h2-4,6-7,9-12,18-19H,5,8,13H2,1H3,(H,22,25)
InChIKeyBMCKESAULYONBA-UHFFFAOYSA-N
XLogP3.56
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.85
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[[(2S)-1-acetylpyrrolidine-2-carbonyl]amino]-2-phenylacetic acid
CID 124682814
1-(2-aminopropanoyl)-N-benzhydrylpyrrolidine-2-carboxamide
CID 166861237
[2-oxo-2-[2-[[phenyl-(4-propan-2-ylphenyl)methyl]carbamoyl]pyrrolidin-1-yl]ethyl]carbamic acid
CID 175570339
N-benzhydryl-1-[2-[2-(chloroamino)propanoylamino]-2-phenylacetyl]pyrrolidine-2-carboxamide
CID 89078519
2-[[(4-chlorophenyl)-phenylmethyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120975095
(3S)-N-benzhydryl-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide
CID 92851206
N-[(R)-(4-chlorophenyl)-phenylmethyl]-1-(2-methylbenzoyl)piperidine-4-carboxamide
CID 41188239
1-acetyl-5-methyl-N-[phenyl-(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide
CID 165140067
N-benzhydryl-1-(4-chlorobenzoyl)piperidine-3-carboxamide
CID 3410633
(2S)-2-N-benzhydryl-1-N-(1-methylindol-3-yl)pyrrolidine-1,2-dicarboxamide
CID 122164804
(2S)-N-benzhydryl-1-[(2S)-3-hydroxy-2-[[(2S)-2-(methylamino)propanoyl]amino]propanoyl]pyrrolidine-2-carboxamide
CID 122192538
(2S)-1-acetyl-N-(3-chlorophenyl)pyrrolidine-2-carboxamide
CID 91903420

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[(4-chlorophenyl)-phenylmethyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-acetyl-N-[(4-chlorophenyl)-phenylmethyl]pyrrolidine-2-carboxamide (CID 78798467) is 1-acetyl-N-[(4-chlorophenyl)-phenylmethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-acetyl-N-[(4-chlorophenyl)-phenylmethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-acetyl-N-[(4-chlorophenyl)-phenylmethyl]pyrrolidine-2-carboxamide is CC(=O)N1CCCC1C(=O)NC(c1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of 1-acetyl-N-[(4-chlorophenyl)-phenylmethyl]pyrrolidine-2-carboxamide?
The InChIKey is BMCKESAULYONBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O2/c1-14(24)23-13-5-8-18(23)20(25)22-19(15-6-3-2-4-7-15)16-9-11-17(21)12-10-16/h2-4,6-7,9-12,18-19H,5,8,13H2,1H3,(H,22,25).
What are the key properties of 1-acetyl-N-[(4-chlorophenyl)-phenylmethyl]pyrrolidine-2-carboxamide?
1-acetyl-N-[(4-chlorophenyl)-phenylmethyl]pyrrolidine-2-carboxamide has a molecular weight of 356.85 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[(4-chlorophenyl)-phenylmethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 78798467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).