1-benzoyl-N-(4-chloro-2-fluorophenyl)-N-methylpyrrolidine-3-carboxamide

C19H18ClFN2O2 — CID 166250406

IUPAC1-benzoyl-N-(4-chloro-2-fluorophenyl)-N-methylpyrrolidine-3-carboxamide
SMILESCN(C(=O)C1CCN(C(=O)c2ccccc2)C1)c1ccc(Cl)cc1F
InChIInChI=1S/C19H18ClFN2O2/c1-22(17-8-7-15(20)11-16(17)21)18(24)14-9-10-23(12-14)19(25)13-5-3-2-4-6-13/h2-8,11,14H,9-10,12H2,1H3
InChIKeyARHKWGKIPCPGQS-UHFFFAOYSA-N
MW360.82 g/mol
LogP3.60
Rot. Bonds3

About 1-benzoyl-N-(4-chloro-2-fluorophenyl)-N-methylpyrrolidine-3-carboxamide

1-benzoyl-N-(4-chloro-2-fluorophenyl)-N-methylpyrrolidine-3-carboxamide (PubChem CID 166250406) has the molecular formula C19H18ClFN2O2 and a molecular weight of 360.82 g/mol. Its IUPAC name is 1-benzoyl-N-(4-chloro-2-fluorophenyl)-N-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-benzoyl-N-(4-chloro-2-fluorophenyl)-N-methylpyrrolidine-3-carboxamide
PubChem CID166250406
Molecular FormulaC19H18ClFN2O2
Molecular Weight360.82 g/mol
Exact Mass360.10
IUPAC Name1-benzoyl-N-(4-chloro-2-fluorophenyl)-N-methylpyrrolidine-3-carboxamide
SMILESCN(C(=O)C1CCN(C(=O)c2ccccc2)C1)c1ccc(Cl)cc1F
InChIInChI=1S/C19H18ClFN2O2/c1-22(17-8-7-15(20)11-16(17)21)18(24)14-9-10-23(12-14)19(25)13-5-3-2-4-6-13/h2-8,11,14H,9-10,12H2,1H3
InChIKeyARHKWGKIPCPGQS-UHFFFAOYSA-N
XLogP3.60
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.82
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

benzyl 3-[(4-chloro-2-fluorophenyl)-methylcarbamoyl]pyrrolidine-1-carboxylate
CID 146100634
(3S)-1-benzoylpyrrolidine-3-carboxylic acid
CID 92614961
(1-benzoylpyrrolidin-3-yl)-(5,6-difluoro-1,3-dihydroisoindol-2-yl)methanone
CID 167990894
N-benzyl-1-(4-chlorobenzoyl)-N-methylpiperidine-4-carboxamide
CID 17119215
N-(1-benzoylpiperidin-4-yl)-4-chloro-N-(2,5-difluorophenyl)benzenesulfonamide
CID 58718366
N-(1-benzoylpiperidin-4-yl)-4-chloro-N-(2,5-difluorophenyl)benzenesulfonamide;methane
CID 159944956
1-(3-chloro-4-fluorobenzoyl)-N-methylpyrrolidine-3-carboxamide
CID 91784718
1-(3,4-difluorobenzoyl)-N,N-dimethylpiperidine-4-carboxamide
CID 110350822
1-(4-chlorobenzoyl)-N-[(2,4-dichlorophenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 24679712
[4-(4-chlorophenyl)phenyl]-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 126426652
N-(2-anilino-2-oxoethyl)-1-(4-chlorobenzoyl)-N-methylpiperidine-4-carboxamide
CID 46822995
1-(4-chlorobenzoyl)-N-(4-chloro-2-fluorophenyl)piperidine-3-carboxamide
CID 134062571

Frequently Asked Questions

What is the IUPAC name of 1-benzoyl-N-(4-chloro-2-fluorophenyl)-N-methylpyrrolidine-3-carboxamide?
The IUPAC name of 1-benzoyl-N-(4-chloro-2-fluorophenyl)-N-methylpyrrolidine-3-carboxamide (CID 166250406) is 1-benzoyl-N-(4-chloro-2-fluorophenyl)-N-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-benzoyl-N-(4-chloro-2-fluorophenyl)-N-methylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-benzoyl-N-(4-chloro-2-fluorophenyl)-N-methylpyrrolidine-3-carboxamide is CN(C(=O)C1CCN(C(=O)c2ccccc2)C1)c1ccc(Cl)cc1F.
What is the InChIKey of 1-benzoyl-N-(4-chloro-2-fluorophenyl)-N-methylpyrrolidine-3-carboxamide?
The InChIKey is ARHKWGKIPCPGQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClFN2O2/c1-22(17-8-7-15(20)11-16(17)21)18(24)14-9-10-23(12-14)19(25)13-5-3-2-4-6-13/h2-8,11,14H,9-10,12H2,1H3.
What are the key properties of 1-benzoyl-N-(4-chloro-2-fluorophenyl)-N-methylpyrrolidine-3-carboxamide?
1-benzoyl-N-(4-chloro-2-fluorophenyl)-N-methylpyrrolidine-3-carboxamide has a molecular weight of 360.82 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzoyl-N-(4-chloro-2-fluorophenyl)-N-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 166250406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).