N-[3-(2-chlorophenyl)-2-fluorophenyl]pyrrolidine-2-carboxamide

C17H16ClFN2O — CID 123475195

IUPACN-[3-(2-chlorophenyl)-2-fluorophenyl]pyrrolidine-2-carboxamide
SMILESO=C(Nc1cccc(-c2ccccc2Cl)c1F)C1CCCN1
InChIInChI=1S/C17H16ClFN2O/c18-13-7-2-1-5-11(13)12-6-3-8-14(16(12)19)21-17(22)15-9-4-10-20-15/h1-3,5-8,15,20H,4,9-10H2,(H,21,22)
InChIKeyUBCMGSNYJQTNCR-UHFFFAOYSA-N
MW318.78 g/mol
LogP3.84
Rot. Bonds3

About N-[3-(2-chlorophenyl)-2-fluorophenyl]pyrrolidine-2-carboxamide

N-[3-(2-chlorophenyl)-2-fluorophenyl]pyrrolidine-2-carboxamide (PubChem CID 123475195) has the molecular formula C17H16ClFN2O and a molecular weight of 318.78 g/mol. Its IUPAC name is N-[3-(2-chlorophenyl)-2-fluorophenyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(2-chlorophenyl)-2-fluorophenyl]pyrrolidine-2-carboxamide
PubChem CID123475195
Molecular FormulaC17H16ClFN2O
Molecular Weight318.78 g/mol
Exact Mass318.09
IUPAC NameN-[3-(2-chlorophenyl)-2-fluorophenyl]pyrrolidine-2-carboxamide
SMILESO=C(Nc1cccc(-c2ccccc2Cl)c1F)C1CCCN1
InChIInChI=1S/C17H16ClFN2O/c18-13-7-2-1-5-11(13)12-6-3-8-14(16(12)19)21-17(22)15-9-4-10-20-15/h1-3,5-8,15,20H,4,9-10H2,(H,21,22)
InChIKeyUBCMGSNYJQTNCR-UHFFFAOYSA-N
XLogP3.84
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.78
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-(3-chloro-2-fluorophenyl)piperidine-2-carboxamide
CID 28969312
N-(2-phenylphenyl)pyrrolidine-2-carboxamide
CID 18072250
N-(2,3-dichlorophenyl)azepane-2-carboxamide
CID 64563193
(2S)-N-[3-chloro-2-(dimethylamino)phenyl]pyrrolidine-2-carboxamide
CID 61154948
N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide
CID 119301292
N-[3-(2-chlorophenyl)-2-fluorophenyl]-5-[(dimethylamino)methyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 153298449
N-(2-fluorophenyl)piperidine-2-carboxamide;hydrochloride
CID 119262310
N-(2-phenylphenyl)piperidine-2-carboxamide
CID 18072559
N-(3-fluoro-2-methylphenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119281809
(2S)-N-[3-chloro-2-(dimethylamino)phenyl]piperidine-2-carboxamide
CID 93265591
(2R)-N-(2-chloro-6-methylphenyl)pyrrolidine-2-carboxamide
CID 104901241
(2R)-N-(2-hydroxyphenyl)piperidine-2-carboxamide
CID 104694666

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-chlorophenyl)-2-fluorophenyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-[3-(2-chlorophenyl)-2-fluorophenyl]pyrrolidine-2-carboxamide (CID 123475195) is N-[3-(2-chlorophenyl)-2-fluorophenyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[3-(2-chlorophenyl)-2-fluorophenyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-[3-(2-chlorophenyl)-2-fluorophenyl]pyrrolidine-2-carboxamide is O=C(Nc1cccc(-c2ccccc2Cl)c1F)C1CCCN1.
What is the InChIKey of N-[3-(2-chlorophenyl)-2-fluorophenyl]pyrrolidine-2-carboxamide?
The InChIKey is UBCMGSNYJQTNCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClFN2O/c18-13-7-2-1-5-11(13)12-6-3-8-14(16(12)19)21-17(22)15-9-4-10-20-15/h1-3,5-8,15,20H,4,9-10H2,(H,21,22).
What are the key properties of N-[3-(2-chlorophenyl)-2-fluorophenyl]pyrrolidine-2-carboxamide?
N-[3-(2-chlorophenyl)-2-fluorophenyl]pyrrolidine-2-carboxamide has a molecular weight of 318.78 g/mol, XLogP of 3.84, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-chlorophenyl)-2-fluorophenyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 123475195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).