N-[(3-chloro-4-fluorophenyl)methyl]pyrrolidine-3-carboxamide

C12H14ClFN2O — CID 63006866

IUPACN-[(3-chloro-4-fluorophenyl)methyl]pyrrolidine-3-carboxamide
SMILESO=C(NCc1ccc(F)c(Cl)c1)C1CCNC1
InChIInChI=1S/C12H14ClFN2O/c13-10-5-8(1-2-11(10)14)6-16-12(17)9-3-4-15-7-9/h1-2,5,9,15H,3-4,6-7H2,(H,16,17)
InChIKeyRJZYUCCDVPWNCY-UHFFFAOYSA-N
MW256.71 g/mol
LogP1.70
Rot. Bonds3

About N-[(3-chloro-4-fluorophenyl)methyl]pyrrolidine-3-carboxamide

N-[(3-chloro-4-fluorophenyl)methyl]pyrrolidine-3-carboxamide (PubChem CID 63006866) has the molecular formula C12H14ClFN2O and a molecular weight of 256.71 g/mol. Its IUPAC name is N-[(3-chloro-4-fluorophenyl)methyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[(3-chloro-4-fluorophenyl)methyl]pyrrolidine-3-carboxamide
PubChem CID63006866
Molecular FormulaC12H14ClFN2O
Molecular Weight256.71 g/mol
Exact Mass256.08
IUPAC NameN-[(3-chloro-4-fluorophenyl)methyl]pyrrolidine-3-carboxamide
SMILESO=C(NCc1ccc(F)c(Cl)c1)C1CCNC1
InChIInChI=1S/C12H14ClFN2O/c13-10-5-8(1-2-11(10)14)6-16-12(17)9-3-4-15-7-9/h1-2,5,9,15H,3-4,6-7H2,(H,16,17)
InChIKeyRJZYUCCDVPWNCY-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-[(5-chloro-2-fluorophenyl)methyl]pyrrolidine-3-carboxamide
CID 115159517
N-[(3-chlorophenyl)methyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119673574
N-[(3,4-difluorophenyl)methyl]piperidine-4-carboxamide
CID 54967962
N-[(4-chlorophenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 74889868
N-[(3-chloro-4-fluorophenyl)methyl]azepane-2-carboxamide
CID 64568354
(3S)-N-benzylpyrrolidine-3-carboxamide
CID 94915415
4-[(pyrrolidine-3-carbonylamino)methyl]benzoic acid
CID 63005459
2-[(3-chloro-4-fluorophenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 62537256
4-amino-N-[(3-chloro-4-fluorophenyl)methyl]pyrrolidine-2-carboxamide
CID 123830306
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)pyrrolidine-3-carboxamide
CID 115159530
N-[(3-chloro-4-fluorophenyl)methyl]-3-piperidin-4-yloxypropanamide
CID 63905458
N-[(2-fluorophenyl)methyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119679710

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-fluorophenyl)methyl]pyrrolidine-3-carboxamide?
The IUPAC name of N-[(3-chloro-4-fluorophenyl)methyl]pyrrolidine-3-carboxamide (CID 63006866) is N-[(3-chloro-4-fluorophenyl)methyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[(3-chloro-4-fluorophenyl)methyl]pyrrolidine-3-carboxamide?
The canonical SMILES for N-[(3-chloro-4-fluorophenyl)methyl]pyrrolidine-3-carboxamide is O=C(NCc1ccc(F)c(Cl)c1)C1CCNC1.
What is the InChIKey of N-[(3-chloro-4-fluorophenyl)methyl]pyrrolidine-3-carboxamide?
The InChIKey is RJZYUCCDVPWNCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClFN2O/c13-10-5-8(1-2-11(10)14)6-16-12(17)9-3-4-15-7-9/h1-2,5,9,15H,3-4,6-7H2,(H,16,17).
What are the key properties of N-[(3-chloro-4-fluorophenyl)methyl]pyrrolidine-3-carboxamide?
N-[(3-chloro-4-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-[(3-chloro-4-fluorophenyl)methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 63006866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).