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

C11H12ClFN2O — CID 107365750

IUPACN-(3-chloro-5-fluorophenyl)pyrrolidine-3-carboxamide
SMILESO=C(Nc1cc(F)cc(Cl)c1)C1CCNC1
InChIInChI=1S/C11H12ClFN2O/c12-8-3-9(13)5-10(4-8)15-11(16)7-1-2-14-6-7/h3-5,7,14H,1-2,6H2,(H,15,16)
InChIKeyNKVHLEVBDMRVHE-UHFFFAOYSA-N
MW242.68 g/mol
LogP2.03
Rot. Bonds2

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

N-(3-chloro-5-fluorophenyl)pyrrolidine-3-carboxamide (PubChem CID 107365750) has the molecular formula C11H12ClFN2O and a molecular weight of 242.68 g/mol. Its IUPAC name is N-(3-chloro-5-fluorophenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-5-fluorophenyl)pyrrolidine-3-carboxamide
PubChem CID107365750
Molecular FormulaC11H12ClFN2O
Molecular Weight242.68 g/mol
Exact Mass242.06
IUPAC NameN-(3-chloro-5-fluorophenyl)pyrrolidine-3-carboxamide
SMILESO=C(Nc1cc(F)cc(Cl)c1)C1CCNC1
InChIInChI=1S/C11H12ClFN2O/c12-8-3-9(13)5-10(4-8)15-11(16)7-1-2-14-6-7/h3-5,7,14H,1-2,6H2,(H,15,16)
InChIKeyNKVHLEVBDMRVHE-UHFFFAOYSA-N
XLogP2.03
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 ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,5-difluorophenyl)piperidine-4-carboxamide
CID 18072624
N-(3,4,5-trifluorophenyl)pyrrolidine-3-carboxamide
CID 63005768
N-(4-chlorophenyl)pyrrolidine-3-carboxamide
CID 63006642
N-(3-chlorophenyl)pyrrolidine-3-carboxamide
CID 63006640
N-(3-fluoro-5-methylphenyl)piperidine-3-carboxamide
CID 79050344
N-(3,4,5-trifluorophenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119708015
(2R)-N-(3-chloro-5-fluorophenyl)pyrrolidine-2-carboxamide
CID 107365936
N-[3,5-dichloro-4-(difluoromethoxy)phenyl]pyrrolidine-3-carboxamide
CID 63006958
N-(5-chloro-2-fluorophenyl)pyrrolidine-3-carboxamide
CID 63007340
N-[3,5-dichloro-4-(difluoromethoxy)phenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 75419422
N-(3-chloro-5-fluorophenyl)-2-piperidin-3-ylacetamide
CID 107365833
N-(3-chloro-5-fluorophenyl)-3-methylpiperidine-2-carboxamide
CID 107365880

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-5-fluorophenyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-(3-chloro-5-fluorophenyl)pyrrolidine-3-carboxamide (CID 107365750) is N-(3-chloro-5-fluorophenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(3-chloro-5-fluorophenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-(3-chloro-5-fluorophenyl)pyrrolidine-3-carboxamide is O=C(Nc1cc(F)cc(Cl)c1)C1CCNC1.
What is the InChIKey of N-(3-chloro-5-fluorophenyl)pyrrolidine-3-carboxamide?
The InChIKey is NKVHLEVBDMRVHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClFN2O/c12-8-3-9(13)5-10(4-8)15-11(16)7-1-2-14-6-7/h3-5,7,14H,1-2,6H2,(H,15,16).
What are the key properties of N-(3-chloro-5-fluorophenyl)pyrrolidine-3-carboxamide?
N-(3-chloro-5-fluorophenyl)pyrrolidine-3-carboxamide has a molecular weight of 242.68 g/mol, XLogP of 2.03, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-5-fluorophenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 107365750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).