N-(2-chlorophenyl)-2-(3-fluorophenyl)pyrrolidine-1-carboxamide

C17H16ClFN2O — CID 50746949

IUPACN-(2-chlorophenyl)-2-(3-fluorophenyl)pyrrolidine-1-carboxamide
SMILESO=C(Nc1ccccc1Cl)N1CCCC1c1cccc(F)c1
InChIInChI=1S/C17H16ClFN2O/c18-14-7-1-2-8-15(14)20-17(22)21-10-4-9-16(21)12-5-3-6-13(19)11-12/h1-3,5-8,11,16H,4,9-10H2,(H,20,22)
InChIKeyDVMUDSQSCRDPMD-UHFFFAOYSA-N
MW318.78 g/mol
LogP4.85
Rot. Bonds2

About N-(2-chlorophenyl)-2-(3-fluorophenyl)pyrrolidine-1-carboxamide

N-(2-chlorophenyl)-2-(3-fluorophenyl)pyrrolidine-1-carboxamide (PubChem CID 50746949) has the molecular formula C17H16ClFN2O and a molecular weight of 318.78 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-(3-fluorophenyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-(3-fluorophenyl)pyrrolidine-1-carboxamide
PubChem CID50746949
Molecular FormulaC17H16ClFN2O
Molecular Weight318.78 g/mol
Exact Mass318.09
IUPAC NameN-(2-chlorophenyl)-2-(3-fluorophenyl)pyrrolidine-1-carboxamide
SMILESO=C(Nc1ccccc1Cl)N1CCCC1c1cccc(F)c1
InChIInChI=1S/C17H16ClFN2O/c18-14-7-1-2-8-15(14)20-17(22)21-10-4-9-16(21)12-5-3-6-13(19)11-12/h1-3,5-8,11,16H,4,9-10H2,(H,20,22)
InChIKeyDVMUDSQSCRDPMD-UHFFFAOYSA-N
XLogP4.85
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.78
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-N-(2,4-difluorophenyl)-2-(3-fluorophenyl)pyrrolidine-1-carboxamide
CID 51856636
N-(2-chlorophenyl)-2-(3-methylphenyl)azepane-1-carboxamide
CID 53013090
(2R)-N-(2,5-dimethylphenyl)-2-(3-fluorophenyl)pyrrolidine-1-carboxamide
CID 51855870
(2-chloro-6-fluorophenyl)-[2-(3-fluorophenyl)pyrrolidin-1-yl]methanone
CID 50747030
(2R)-N-(2-chlorophenyl)-2-(4-methylphenyl)azepane-1-carboxamide
CID 93076743
N-(3,4-dimethylphenyl)-2-(3-fluorophenyl)pyrrolidine-1-carboxamide
CID 50746912
methyl 3-[[(2S)-2-(3-fluorophenyl)pyrrolidine-1-carbonyl]amino]thiophene-2-carboxylate
CID 51694845
methyl N-[3-[[2-(3-fluorophenyl)pyrrolidine-1-carbonyl]amino]phenyl]carbamate
CID 87035285
(2R)-N-(2-chlorophenyl)-2-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
CID 95058038
2-(3-fluorophenyl)-N-(4-hydroxycyclohexyl)pyrrolidine-1-carboxamide
CID 110900683
(2S)-2-(3-fluorophenyl)-N-propylpyrrolidine-1-carboxamide
CID 95053549
(2S)-N-(1,3-benzodioxol-5-yl)-2-(3-fluorophenyl)pyrrolidine-1-carboxamide
CID 51694842

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-(3-fluorophenyl)pyrrolidine-1-carboxamide?
The IUPAC name of N-(2-chlorophenyl)-2-(3-fluorophenyl)pyrrolidine-1-carboxamide (CID 50746949) is N-(2-chlorophenyl)-2-(3-fluorophenyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-(3-fluorophenyl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)-2-(3-fluorophenyl)pyrrolidine-1-carboxamide is O=C(Nc1ccccc1Cl)N1CCCC1c1cccc(F)c1.
What is the InChIKey of N-(2-chlorophenyl)-2-(3-fluorophenyl)pyrrolidine-1-carboxamide?
The InChIKey is DVMUDSQSCRDPMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClFN2O/c18-14-7-1-2-8-15(14)20-17(22)21-10-4-9-16(21)12-5-3-6-13(19)11-12/h1-3,5-8,11,16H,4,9-10H2,(H,20,22).
What are the key properties of N-(2-chlorophenyl)-2-(3-fluorophenyl)pyrrolidine-1-carboxamide?
N-(2-chlorophenyl)-2-(3-fluorophenyl)pyrrolidine-1-carboxamide has a molecular weight of 318.78 g/mol, XLogP of 4.85, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-(3-fluorophenyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 50746949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).