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

C17H16ClFN2O — CID 51856073

IUPAC(2S)-N-(3-chlorophenyl)-2-(2-fluorophenyl)pyrrolidine-1-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)N1CCC[C@H]1c1ccccc1F
InChIInChI=1S/C17H16ClFN2O/c18-12-5-3-6-13(11-12)20-17(22)21-10-4-9-16(21)14-7-1-2-8-15(14)19/h1-3,5-8,11,16H,4,9-10H2,(H,20,22)/t16-/m0/s1
InChIKeyJUEMJTVJGWNUSP-INIZCTEOSA-N
MW318.78 g/mol
LogP4.85
Rot. Bonds2

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

(2S)-N-(3-chlorophenyl)-2-(2-fluorophenyl)pyrrolidine-1-carboxamide (PubChem CID 51856073) has the molecular formula C17H16ClFN2O and a molecular weight of 318.78 g/mol. Its IUPAC name is (2S)-N-(3-chlorophenyl)-2-(2-fluorophenyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-N-(3-chlorophenyl)-2-(2-fluorophenyl)pyrrolidine-1-carboxamide
PubChem CID51856073
Molecular FormulaC17H16ClFN2O
Molecular Weight318.78 g/mol
Exact Mass318.09
IUPAC Name(2S)-N-(3-chlorophenyl)-2-(2-fluorophenyl)pyrrolidine-1-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)N1CCC[C@H]1c1ccccc1F
InChIInChI=1S/C17H16ClFN2O/c18-12-5-3-6-13(11-12)20-17(22)21-10-4-9-16(21)14-7-1-2-8-15(14)19/h1-3,5-8,11,16H,4,9-10H2,(H,20,22)/t16-/m0/s1
InChIKeyJUEMJTVJGWNUSP-INIZCTEOSA-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

N-(3-chlorophenyl)-2-pyridin-2-ylpyrrolidine-1-carboxamide
CID 110874701
(2S)-1-N,2-N-bis(3-chlorophenyl)pyrrolidine-1,2-dicarboxamide
CID 1445725
(2R)-N-(3-chlorophenyl)-2-[5-(2-fluorophenyl)-1,3-benzoxazol-2-yl]pyrrolidine-1-carboxamide
CID 93016112
2-benzoyl-N-(3-chlorophenyl)pyrrolidine-1-carboxamide
CID 110357668
(2S)-N-(3-chlorophenyl)-2-(5-phenyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide
CID 154636964
5-[(2S)-1-[(3-chloro-4-fluorophenyl)carbamoyl]pyrrolidin-2-yl]-N-(3-chlorophenyl)-1,3,4-thiadiazole-2-carboxamide
CID 95070885
(2S)-2-(2-methylphenyl)-N-phenylpyrrolidine-1-carboxamide
CID 51856075
N-(3-chlorophenyl)-2-pyridin-3-ylpiperidine-1-carboxamide
CID 3751158
2-(2-chlorophenyl)-N-[3-(methoxymethyl)phenyl]pyrrolidine-1-carboxamide
CID 87010464
(2S)-N-(3-methoxyphenyl)-2-(2-methylphenyl)pyrrolidine-1-carboxamide
CID 51856233
(2R)-N-(3-chloro-4-fluorophenyl)-2-(3-methylphenyl)pyrrolidine-1-carboxamide
CID 51856550
(2S)-2-N-(3-acetamidophenyl)-1-N-(3-chlorophenyl)pyrrolidine-1,2-dicarboxamide
CID 1468971

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-chlorophenyl)-2-(2-fluorophenyl)pyrrolidine-1-carboxamide?
The IUPAC name of (2S)-N-(3-chlorophenyl)-2-(2-fluorophenyl)pyrrolidine-1-carboxamide (CID 51856073) is (2S)-N-(3-chlorophenyl)-2-(2-fluorophenyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (2S)-N-(3-chlorophenyl)-2-(2-fluorophenyl)pyrrolidine-1-carboxamide?
The canonical SMILES for (2S)-N-(3-chlorophenyl)-2-(2-fluorophenyl)pyrrolidine-1-carboxamide is O=C(Nc1cccc(Cl)c1)N1CCC[C@H]1c1ccccc1F.
What is the InChIKey of (2S)-N-(3-chlorophenyl)-2-(2-fluorophenyl)pyrrolidine-1-carboxamide?
The InChIKey is JUEMJTVJGWNUSP-INIZCTEOSA-N. The full InChI is InChI=1S/C17H16ClFN2O/c18-12-5-3-6-13(11-12)20-17(22)21-10-4-9-16(21)14-7-1-2-8-15(14)19/h1-3,5-8,11,16H,4,9-10H2,(H,20,22)/t16-/m0/s1.
What are the key properties of (2S)-N-(3-chlorophenyl)-2-(2-fluorophenyl)pyrrolidine-1-carboxamide?
(2S)-N-(3-chlorophenyl)-2-(2-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 (2S)-N-(3-chlorophenyl)-2-(2-fluorophenyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 51856073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).