(2R)-N-(2-benzoyl-4-chlorophenyl)-2-methylpyrrolidine-2-carboxamide

C19H19ClN2O2 — CID 134400651

IUPAC(2R)-N-(2-benzoyl-4-chlorophenyl)-2-methylpyrrolidine-2-carboxamide
SMILESC[C@]1(C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)CCCN1
InChIInChI=1S/C19H19ClN2O2/c1-19(10-5-11-21-19)18(24)22-16-9-8-14(20)12-15(16)17(23)13-6-3-2-4-7-13/h2-4,6-9,12,21H,5,10-11H2,1H3,(H,22,24)/t19-/m1/s1
InChIKeyZHFRSBQSMXGIQN-LJQANCHMSA-N
MW342.83 g/mol
LogP3.65
Rot. Bonds4

About (2R)-N-(2-benzoyl-4-chlorophenyl)-2-methylpyrrolidine-2-carboxamide

(2R)-N-(2-benzoyl-4-chlorophenyl)-2-methylpyrrolidine-2-carboxamide (PubChem CID 134400651) has the molecular formula C19H19ClN2O2 and a molecular weight of 342.83 g/mol. Its IUPAC name is (2R)-N-(2-benzoyl-4-chlorophenyl)-2-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-(2-benzoyl-4-chlorophenyl)-2-methylpyrrolidine-2-carboxamide
PubChem CID134400651
Molecular FormulaC19H19ClN2O2
Molecular Weight342.83 g/mol
Exact Mass342.11
IUPAC Name(2R)-N-(2-benzoyl-4-chlorophenyl)-2-methylpyrrolidine-2-carboxamide
SMILESC[C@]1(C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)CCCN1
InChIInChI=1S/C19H19ClN2O2/c1-19(10-5-11-21-19)18(24)22-16-9-8-14(20)12-15(16)17(23)13-6-3-2-4-7-13/h2-4,6-9,12,21H,5,10-11H2,1H3,(H,22,24)/t19-/m1/s1
InChIKeyZHFRSBQSMXGIQN-LJQANCHMSA-N
XLogP3.65
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.83
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromo-4-chlorophenyl)-2-methylpiperidine-2-carboxamide
CID 113430886
N-(5-chloro-2-methylphenyl)-2-methylpiperidine-2-carboxamide
CID 113368554
(3-chlorophenyl)-(2-methylpyrrolidin-2-yl)methanone
CID 116580557
(2R)-N-(2-benzoyl-4-chlorophenyl)-1-[(2,6-difluorophenyl)methyl]-2-methylpyrrolidine-2-carboxamide
CID 134400641
cis-(1R,2S)-2-[(2-benzoyl-4-chlorophenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 40548385
N-(2-benzoyl-4-chlorophenyl)pyrazolidine-1-carbothioamide
CID 5369678
N-(2-chloro-5-fluorophenyl)-2-methylpiperidine-2-carboxamide
CID 107528549
N-(2-benzoyl-4-chlorophenyl)-2-iodoacetamide
CID 12500538
5-chloro-2-[(3-methylpiperidine-3-carbonyl)amino]benzoic acid
CID 63131916
(2R)-N-(2-benzoyl-4-chlorophenyl)-1-[(3,4-dimethoxyphenyl)methyl]-2-methylpyrrolidine-2-carboxamide
CID 134400602
[5-chloro-2-(cyclopropylamino)phenyl]-phenylmethanone
CID 14598884
[5-chloro-2-(methoxyamino)phenyl]-phenylmethanone
CID 145356956

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-benzoyl-4-chlorophenyl)-2-methylpyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-(2-benzoyl-4-chlorophenyl)-2-methylpyrrolidine-2-carboxamide (CID 134400651) is (2R)-N-(2-benzoyl-4-chlorophenyl)-2-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-(2-benzoyl-4-chlorophenyl)-2-methylpyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-(2-benzoyl-4-chlorophenyl)-2-methylpyrrolidine-2-carboxamide is C[C@]1(C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)CCCN1.
What is the InChIKey of (2R)-N-(2-benzoyl-4-chlorophenyl)-2-methylpyrrolidine-2-carboxamide?
The InChIKey is ZHFRSBQSMXGIQN-LJQANCHMSA-N. The full InChI is InChI=1S/C19H19ClN2O2/c1-19(10-5-11-21-19)18(24)22-16-9-8-14(20)12-15(16)17(23)13-6-3-2-4-7-13/h2-4,6-9,12,21H,5,10-11H2,1H3,(H,22,24)/t19-/m1/s1.
What are the key properties of (2R)-N-(2-benzoyl-4-chlorophenyl)-2-methylpyrrolidine-2-carboxamide?
(2R)-N-(2-benzoyl-4-chlorophenyl)-2-methylpyrrolidine-2-carboxamide has a molecular weight of 342.83 g/mol, XLogP of 3.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-benzoyl-4-chlorophenyl)-2-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 134400651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).