(2R)-N-(3-chloro-5-fluorophenyl)pyrrolidine-2-carboxamide

C11H12ClFN2O — CID 107365936

IUPAC(2R)-N-(3-chloro-5-fluorophenyl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1cc(F)cc(Cl)c1)[C@H]1CCCN1
InChIInChI=1S/C11H12ClFN2O/c12-7-4-8(13)6-9(5-7)15-11(16)10-2-1-3-14-10/h4-6,10,14H,1-3H2,(H,15,16)/t10-/m1/s1
InChIKeyBZUODTBGQCOQSO-SNVBAGLBSA-N
MW242.68 g/mol
LogP2.17
Rot. Bonds2

About (2R)-N-(3-chloro-5-fluorophenyl)pyrrolidine-2-carboxamide

(2R)-N-(3-chloro-5-fluorophenyl)pyrrolidine-2-carboxamide (PubChem CID 107365936) has the molecular formula C11H12ClFN2O and a molecular weight of 242.68 g/mol. Its IUPAC name is (2R)-N-(3-chloro-5-fluorophenyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-(3-chloro-5-fluorophenyl)pyrrolidine-2-carboxamide
PubChem CID107365936
Molecular FormulaC11H12ClFN2O
Molecular Weight242.68 g/mol
Exact Mass242.06
IUPAC Name(2R)-N-(3-chloro-5-fluorophenyl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1cc(F)cc(Cl)c1)[C@H]1CCCN1
InChIInChI=1S/C11H12ClFN2O/c12-7-4-8(13)6-9(5-7)15-11(16)10-2-1-3-14-10/h4-6,10,14H,1-3H2,(H,15,16)/t10-/m1/s1
InChIKeyBZUODTBGQCOQSO-SNVBAGLBSA-N
XLogP2.17
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.68
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-chloro-5-fluorophenyl)-3-methylpiperidine-2-carboxamide
CID 107365880
N-(3,4,5-trifluorophenyl)pyrrolidine-2-carboxamide
CID 55119315
3-chloro-5-[[(2S)-piperidine-2-carbonyl]amino]benzoic acid
CID 104914413
N-(3,5-dichloro-4-hydroxyphenyl)pyrrolidine-2-carboxamide
CID 107680422
(2R)-N-(4-chlorophenyl)pyrrolidine-2-carboxamide
CID 7183288
N-(3,4-difluorophenyl)pyrrolidine-2-carboxamide
CID 18073046
(2S)-N-(3-fluoro-5-morpholin-4-ylphenyl)pyrrolidine-2-carboxamide
CID 122081452
N-(3,5-difluoro-4-iodophenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119312522
N-(3-chloro-5-fluorophenyl)pyrrolidine-3-carboxamide
CID 107365750
N-(4-chloro-3-fluorophenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119281092
(2S)-N-(3,4,5-trifluorophenyl)piperidine-2-carboxamide
CID 113266184
(2S)-N-(3,5-dimethylphenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 67505940

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3-chloro-5-fluorophenyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-(3-chloro-5-fluorophenyl)pyrrolidine-2-carboxamide (CID 107365936) is (2R)-N-(3-chloro-5-fluorophenyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-(3-chloro-5-fluorophenyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-(3-chloro-5-fluorophenyl)pyrrolidine-2-carboxamide is O=C(Nc1cc(F)cc(Cl)c1)[C@H]1CCCN1.
What is the InChIKey of (2R)-N-(3-chloro-5-fluorophenyl)pyrrolidine-2-carboxamide?
The InChIKey is BZUODTBGQCOQSO-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H12ClFN2O/c12-7-4-8(13)6-9(5-7)15-11(16)10-2-1-3-14-10/h4-6,10,14H,1-3H2,(H,15,16)/t10-/m1/s1.
What are the key properties of (2R)-N-(3-chloro-5-fluorophenyl)pyrrolidine-2-carboxamide?
(2R)-N-(3-chloro-5-fluorophenyl)pyrrolidine-2-carboxamide has a molecular weight of 242.68 g/mol, XLogP of 2.17, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3-chloro-5-fluorophenyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 107365936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).