(2S)-1-acetyl-N-(3-chlorophenyl)pyrrolidine-2-carboxamide

C13H15ClN2O2 — CID 91903420

IUPAC(2S)-1-acetyl-N-(3-chlorophenyl)pyrrolidine-2-carboxamide
SMILESCC(=O)N1CCC[C@H]1C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C13H15ClN2O2/c1-9(17)16-7-3-6-12(16)13(18)15-11-5-2-4-10(14)8-11/h2,4-5,8,12H,3,6-7H2,1H3,(H,15,18)/t12-/m0/s1
InChIKeyZATASNVAAXGTQL-LBPRGKRZSA-N
MW266.73 g/mol
LogP2.29
Rot. Bonds2

About (2S)-1-acetyl-N-(3-chlorophenyl)pyrrolidine-2-carboxamide

(2S)-1-acetyl-N-(3-chlorophenyl)pyrrolidine-2-carboxamide (PubChem CID 91903420) has the molecular formula C13H15ClN2O2 and a molecular weight of 266.73 g/mol. Its IUPAC name is (2S)-1-acetyl-N-(3-chlorophenyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-acetyl-N-(3-chlorophenyl)pyrrolidine-2-carboxamide
PubChem CID91903420
Molecular FormulaC13H15ClN2O2
Molecular Weight266.73 g/mol
Exact Mass266.08
IUPAC Name(2S)-1-acetyl-N-(3-chlorophenyl)pyrrolidine-2-carboxamide
SMILESCC(=O)N1CCC[C@H]1C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C13H15ClN2O2/c1-9(17)16-7-3-6-12(16)13(18)15-11-5-2-4-10(14)8-11/h2,4-5,8,12H,3,6-7H2,1H3,(H,15,18)/t12-/m0/s1
InChIKeyZATASNVAAXGTQL-LBPRGKRZSA-N
XLogP2.29
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.73
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1-N,2-N-bis(3-chlorophenyl)pyrrolidine-1,2-dicarboxamide
CID 1445725
(2S)-2-N-(3-acetamidophenyl)-1-N-(3-chlorophenyl)pyrrolidine-1,2-dicarboxamide
CID 1468971
tert-butyl (2R)-2-[(3-chlorophenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 9138621
(2R)-1-N-(3-chlorophenyl)-2-N-(4-ethylphenyl)pyrrolidine-1,2-dicarboxamide
CID 1445734
(2R)-1-N-(3-chlorophenyl)-2-N-(2,6-dimethoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 51508333
(2S)-1-acetyl-N-(4-methylphenyl)pyrrolidine-2-carboxamide
CID 784723
(2S)-1-acetyl-N-pyridin-3-ylpyrrolidine-2-carboxamide
CID 51089557
N-(3,5-dichlorophenyl)-1-[3-(propanoylamino)benzoyl]pyrrolidine-2-carboxamide
CID 55873911
(2S)-1-(4-chlorobenzoyl)-N-(3-methylphenyl)pyrrolidine-2-carboxamide
CID 92664894
(2R)-1-N-(3-chlorophenyl)-2-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-1,2-dicarboxamide
CID 51508255
(3R)-N-(3-chlorophenyl)-1-methylpiperidine-3-carboxamide
CID 96590610
1-acetyl-N-[4-[5-[4-[(1-acetylpyrrolidine-2-carbonyl)amino]phenyl]thiophen-2-yl]phenyl]pyrrolidine-2-carboxamide
CID 76815353

Frequently Asked Questions

What is the IUPAC name of (2S)-1-acetyl-N-(3-chlorophenyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-acetyl-N-(3-chlorophenyl)pyrrolidine-2-carboxamide (CID 91903420) is (2S)-1-acetyl-N-(3-chlorophenyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-acetyl-N-(3-chlorophenyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-acetyl-N-(3-chlorophenyl)pyrrolidine-2-carboxamide is CC(=O)N1CCC[C@H]1C(=O)Nc1cccc(Cl)c1.
What is the InChIKey of (2S)-1-acetyl-N-(3-chlorophenyl)pyrrolidine-2-carboxamide?
The InChIKey is ZATASNVAAXGTQL-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H15ClN2O2/c1-9(17)16-7-3-6-12(16)13(18)15-11-5-2-4-10(14)8-11/h2,4-5,8,12H,3,6-7H2,1H3,(H,15,18)/t12-/m0/s1.
What are the key properties of (2S)-1-acetyl-N-(3-chlorophenyl)pyrrolidine-2-carboxamide?
(2S)-1-acetyl-N-(3-chlorophenyl)pyrrolidine-2-carboxamide has a molecular weight of 266.73 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-acetyl-N-(3-chlorophenyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 91903420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).