N-[(5-chloro-2-fluorophenyl)methyl]pyrrolidine-3-carboxamide

C12H14ClFN2O — CID 115159517

IUPACN-[(5-chloro-2-fluorophenyl)methyl]pyrrolidine-3-carboxamide
SMILESO=C(NCc1cc(Cl)ccc1F)C1CCNC1
InChIInChI=1S/C12H14ClFN2O/c13-10-1-2-11(14)9(5-10)7-16-12(17)8-3-4-15-6-8/h1-2,5,8,15H,3-4,6-7H2,(H,16,17)
InChIKeyNZSUGBOGWPJZMY-UHFFFAOYSA-N
MW256.71 g/mol
LogP1.70
Rot. Bonds3

About N-[(5-chloro-2-fluorophenyl)methyl]pyrrolidine-3-carboxamide

N-[(5-chloro-2-fluorophenyl)methyl]pyrrolidine-3-carboxamide (PubChem CID 115159517) has the molecular formula C12H14ClFN2O and a molecular weight of 256.71 g/mol. Its IUPAC name is N-[(5-chloro-2-fluorophenyl)methyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[(5-chloro-2-fluorophenyl)methyl]pyrrolidine-3-carboxamide
PubChem CID115159517
Molecular FormulaC12H14ClFN2O
Molecular Weight256.71 g/mol
Exact Mass256.08
IUPAC NameN-[(5-chloro-2-fluorophenyl)methyl]pyrrolidine-3-carboxamide
SMILESO=C(NCc1cc(Cl)ccc1F)C1CCNC1
InChIInChI=1S/C12H14ClFN2O/c13-10-1-2-11(14)9(5-10)7-16-12(17)8-3-4-15-6-8/h1-2,5,8,15H,3-4,6-7H2,(H,16,17)
InChIKeyNZSUGBOGWPJZMY-UHFFFAOYSA-N
XLogP1.70
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.71
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-fluorophenyl)methyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119679710
N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119813987
N-[(3-chloro-4-fluorophenyl)methyl]pyrrolidine-3-carboxamide
CID 63006866
(3R)-N-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 94705337
N-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide;hydrochloride
CID 119263512
N-[(3-chlorophenyl)methyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119673574
N-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 119263502
N-[2-(2,5-difluorophenyl)ethyl]pyrrolidine-3-carboxamide
CID 115159581
N-(5-chloro-2-fluorophenyl)pyrrolidine-3-carboxamide
CID 63007340
N-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 171622043
N-(naphthalen-1-ylmethyl)pyrrolidine-3-carboxamide
CID 63006320
N-[(4-methyl-2-methylsulfanylphenyl)methyl]pyrrolidine-3-carboxamide
CID 119811706

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2-fluorophenyl)methyl]pyrrolidine-3-carboxamide?
The IUPAC name of N-[(5-chloro-2-fluorophenyl)methyl]pyrrolidine-3-carboxamide (CID 115159517) is N-[(5-chloro-2-fluorophenyl)methyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[(5-chloro-2-fluorophenyl)methyl]pyrrolidine-3-carboxamide?
The canonical SMILES for N-[(5-chloro-2-fluorophenyl)methyl]pyrrolidine-3-carboxamide is O=C(NCc1cc(Cl)ccc1F)C1CCNC1.
What is the InChIKey of N-[(5-chloro-2-fluorophenyl)methyl]pyrrolidine-3-carboxamide?
The InChIKey is NZSUGBOGWPJZMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClFN2O/c13-10-1-2-11(14)9(5-10)7-16-12(17)8-3-4-15-6-8/h1-2,5,8,15H,3-4,6-7H2,(H,16,17).
What are the key properties of N-[(5-chloro-2-fluorophenyl)methyl]pyrrolidine-3-carboxamide?
N-[(5-chloro-2-fluorophenyl)methyl]pyrrolidine-3-carboxamide has a molecular weight of 256.71 g/mol, XLogP of 1.70, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-2-fluorophenyl)methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 115159517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).