N-(5-chloro-2-fluorophenyl)-3-methylpyrrolidine-3-carboxamide

C12H14ClFN2O — CID 63138625

IUPACN-(5-chloro-2-fluorophenyl)-3-methylpyrrolidine-3-carboxamide
SMILESCC1(C(=O)Nc2cc(Cl)ccc2F)CCNC1
InChIInChI=1S/C12H14ClFN2O/c1-12(4-5-15-7-12)11(17)16-10-6-8(13)2-3-9(10)14/h2-3,6,15H,4-5,7H2,1H3,(H,16,17)
InChIKeyKOQVRWBITIPYQF-UHFFFAOYSA-N
MW256.71 g/mol
LogP2.42
Rot. Bonds2

About N-(5-chloro-2-fluorophenyl)-3-methylpyrrolidine-3-carboxamide

N-(5-chloro-2-fluorophenyl)-3-methylpyrrolidine-3-carboxamide (PubChem CID 63138625) has the molecular formula C12H14ClFN2O and a molecular weight of 256.71 g/mol. Its IUPAC name is N-(5-chloro-2-fluorophenyl)-3-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-fluorophenyl)-3-methylpyrrolidine-3-carboxamide
PubChem CID63138625
Molecular FormulaC12H14ClFN2O
Molecular Weight256.71 g/mol
Exact Mass256.08
IUPAC NameN-(5-chloro-2-fluorophenyl)-3-methylpyrrolidine-3-carboxamide
SMILESCC1(C(=O)Nc2cc(Cl)ccc2F)CCNC1
InChIInChI=1S/C12H14ClFN2O/c1-12(4-5-15-7-12)11(17)16-10-6-8(13)2-3-9(10)14/h2-3,6,15H,4-5,7H2,1H3,(H,16,17)
InChIKeyKOQVRWBITIPYQF-UHFFFAOYSA-N
XLogP2.42
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 ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(5-chloro-2-fluorophenyl)-3-methylpyrrolidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 4-chloro-2-[(3-methylpyrrolidine-3-carbonyl)amino]benzoate
CID 63139636
N-(5-acetamido-2-fluorophenyl)-3-methylpyrrolidine-3-carboxamide;hydrochloride
CID 119705037
N-(5-chloro-2-nitrophenyl)-3-methylpyrrolidine-3-carboxamide
CID 63139685
N-(4-chloro-2-fluorophenyl)-4-methylpiperidine-4-carboxamide
CID 63121680
N-(5-carbamoyl-2-fluorophenyl)-3-methylpyrrolidine-3-carboxamide;hydrochloride
CID 119727613
4-chloro-2-[(3-methylpiperidine-3-carbonyl)amino]benzoic acid
CID 63131872
N-(5-chloro-2-fluorophenyl)-3-ethylpiperidine-3-carboxamide
CID 63130400
N-(5-bromo-2-chlorophenyl)-3-methylpyrrolidine-3-carboxamide
CID 63141919
N-(5-chloro-2-methoxyphenyl)-4-methylpiperidine-4-carboxamide
CID 55179477
5-chloro-2-[(3-methylpiperidine-3-carbonyl)amino]benzoic acid
CID 63131916
N-(2-fluoro-5-methylsulfonylphenyl)-4-methylpiperidine-4-carboxamide
CID 63121700
N-(2-fluoro-5-methylsulfonylphenyl)-3-methylpiperidine-3-carboxamide
CID 63130876

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-fluorophenyl)-3-methylpyrrolidine-3-carboxamide?
The IUPAC name of N-(5-chloro-2-fluorophenyl)-3-methylpyrrolidine-3-carboxamide (CID 63138625) is N-(5-chloro-2-fluorophenyl)-3-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-(5-chloro-2-fluorophenyl)-3-methylpyrrolidine-3-carboxamide?
The canonical SMILES for N-(5-chloro-2-fluorophenyl)-3-methylpyrrolidine-3-carboxamide is CC1(C(=O)Nc2cc(Cl)ccc2F)CCNC1.
What is the InChIKey of N-(5-chloro-2-fluorophenyl)-3-methylpyrrolidine-3-carboxamide?
The InChIKey is KOQVRWBITIPYQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClFN2O/c1-12(4-5-15-7-12)11(17)16-10-6-8(13)2-3-9(10)14/h2-3,6,15H,4-5,7H2,1H3,(H,16,17).
What are the key properties of N-(5-chloro-2-fluorophenyl)-3-methylpyrrolidine-3-carboxamide?
N-(5-chloro-2-fluorophenyl)-3-methylpyrrolidine-3-carboxamide has a molecular weight of 256.71 g/mol, XLogP of 2.42, 2 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)-3-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 63138625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).