N-(2-chloro-4-fluorophenyl)-4-methylpyrrolidine-3-carboxamide

C12H14ClFN2O — CID 55228625

IUPACN-(2-chloro-4-fluorophenyl)-4-methylpyrrolidine-3-carboxamide
SMILESCC1CNCC1C(=O)Nc1ccc(F)cc1Cl
InChIInChI=1S/C12H14ClFN2O/c1-7-5-15-6-9(7)12(17)16-11-3-2-8(14)4-10(11)13/h2-4,7,9,15H,5-6H2,1H3,(H,16,17)
InChIKeyQUZVXCSXHIMZBG-UHFFFAOYSA-N
MW256.71 g/mol
LogP2.27
Rot. Bonds2

About N-(2-chloro-4-fluorophenyl)-4-methylpyrrolidine-3-carboxamide

N-(2-chloro-4-fluorophenyl)-4-methylpyrrolidine-3-carboxamide (PubChem CID 55228625) has the molecular formula C12H14ClFN2O and a molecular weight of 256.71 g/mol. Its IUPAC name is N-(2-chloro-4-fluorophenyl)-4-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-4-fluorophenyl)-4-methylpyrrolidine-3-carboxamide
PubChem CID55228625
Molecular FormulaC12H14ClFN2O
Molecular Weight256.71 g/mol
Exact Mass256.08
IUPAC NameN-(2-chloro-4-fluorophenyl)-4-methylpyrrolidine-3-carboxamide
SMILESCC1CNCC1C(=O)Nc1ccc(F)cc1Cl
InChIInChI=1S/C12H14ClFN2O/c1-7-5-15-6-9(7)12(17)16-11-3-2-8(14)4-10(11)13/h2-4,7,9,15H,5-6H2,1H3,(H,16,17)
InChIKeyQUZVXCSXHIMZBG-UHFFFAOYSA-N
XLogP2.27
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.71
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 4-fluoro-2-[(4-methylpyrrolidine-3-carbonyl)amino]benzoate
CID 63715623
N-(2,5-dichlorophenyl)-4-methylpyrrolidine-3-carboxamide
CID 63720795
N-(2,3-dichlorophenyl)-4-methylpyrrolidine-3-carboxamide
CID 55231498
N-(4-bromo-2,3-dichlorophenyl)-4-methylpyrrolidine-3-carboxamide
CID 107790239
N-[2-chloro-5-(methylcarbamoyl)phenyl]-4-methylpyrrolidine-3-carboxamide
CID 63715613
4-chloro-2-[[(3S,4S)-4-methylpyrrolidine-3-carbonyl]amino]benzoic acid
CID 98540711
(3R)-N-(2-chloro-4-fluorophenyl)piperidine-3-carboxamide
CID 29080451
4-methyl-N-(2-methylsulfanylphenyl)pyrrolidine-3-carboxamide
CID 63714277
N-(4-bromo-2,6-dichlorophenyl)-4-methylpyrrolidine-3-carboxamide
CID 63714914
5-iodo-2-[(4-methylpyrrolidine-3-carbonyl)amino]benzoic acid
CID 63714017
N-(2-chloro-4-fluorophenyl)-4-hydroxypyrrolidine-2-carboxamide
CID 43150554
(3S,4S)-N-(4-methoxy-2-methylphenyl)-4-methylpyrrolidine-3-carboxamide
CID 114084896

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-fluorophenyl)-4-methylpyrrolidine-3-carboxamide?
The IUPAC name of N-(2-chloro-4-fluorophenyl)-4-methylpyrrolidine-3-carboxamide (CID 55228625) is N-(2-chloro-4-fluorophenyl)-4-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2-chloro-4-fluorophenyl)-4-methylpyrrolidine-3-carboxamide?
The canonical SMILES for N-(2-chloro-4-fluorophenyl)-4-methylpyrrolidine-3-carboxamide is CC1CNCC1C(=O)Nc1ccc(F)cc1Cl.
What is the InChIKey of N-(2-chloro-4-fluorophenyl)-4-methylpyrrolidine-3-carboxamide?
The InChIKey is QUZVXCSXHIMZBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClFN2O/c1-7-5-15-6-9(7)12(17)16-11-3-2-8(14)4-10(11)13/h2-4,7,9,15H,5-6H2,1H3,(H,16,17).
What are the key properties of N-(2-chloro-4-fluorophenyl)-4-methylpyrrolidine-3-carboxamide?
N-(2-chloro-4-fluorophenyl)-4-methylpyrrolidine-3-carboxamide has a molecular weight of 256.71 g/mol, XLogP of 2.27, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-fluorophenyl)-4-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 55228625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).