3-chloro-2-fluoro-N-(pyrrolidin-3-ylmethyl)benzamide

C12H14ClFN2O — CID 81267075

IUPAC3-chloro-2-fluoro-N-(pyrrolidin-3-ylmethyl)benzamide
SMILESO=C(NCC1CCNC1)c1cccc(Cl)c1F
InChIInChI=1S/C12H14ClFN2O/c13-10-3-1-2-9(11(10)14)12(17)16-7-8-4-5-15-6-8/h1-3,8,15H,4-7H2,(H,16,17)
InChIKeyJNCHZNMTEQDDSW-UHFFFAOYSA-N
MW256.71 g/mol
LogP1.82
Rot. Bonds3

About 3-chloro-2-fluoro-N-(pyrrolidin-3-ylmethyl)benzamide

3-chloro-2-fluoro-N-(pyrrolidin-3-ylmethyl)benzamide (PubChem CID 81267075) has the molecular formula C12H14ClFN2O and a molecular weight of 256.71 g/mol. Its IUPAC name is 3-chloro-2-fluoro-N-(pyrrolidin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name3-chloro-2-fluoro-N-(pyrrolidin-3-ylmethyl)benzamide
PubChem CID81267075
Molecular FormulaC12H14ClFN2O
Molecular Weight256.71 g/mol
Exact Mass256.08
IUPAC Name3-chloro-2-fluoro-N-(pyrrolidin-3-ylmethyl)benzamide
SMILESO=C(NCC1CCNC1)c1cccc(Cl)c1F
InChIInChI=1S/C12H14ClFN2O/c13-10-3-1-2-9(11(10)14)12(17)16-7-8-4-5-15-6-8/h1-3,8,15H,4-7H2,(H,16,17)
InChIKeyJNCHZNMTEQDDSW-UHFFFAOYSA-N
XLogP1.82
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 ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-chloro-2-fluoro-N-(pyrrolidin-3-ylmethyl)benzamide 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

2,3,4-trifluoro-N-(pyrrolidin-3-ylmethyl)benzamide
CID 80564595
3-chloro-2-fluoro-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 81265233
N-[(4-chlorocyclohexyl)methyl]-2,3-difluorobenzamide
CID 114147871
2-methylsulfanyl-N-(pyrrolidin-3-ylmethyl)benzamide
CID 80564481
3-chloro-N-(pyrrolidin-3-ylmethyl)pyridine-4-carboxamide
CID 80564619
3-chloro-2-fluoro-N-(3-piperidin-4-yloxypropyl)benzamide
CID 81264988
2-oxo-N-(pyrrolidin-3-ylmethyl)-1H-pyridine-3-carboxamide
CID 80564171
N-(pyrrolidin-3-ylmethyl)-1H-indole-7-carboxamide
CID 80564493
3,5-dichloro-2-hydroxy-N-(pyrrolidin-3-ylmethyl)benzamide
CID 178146409
N-(pyrrolidin-3-ylmethyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 71645408
3-chloro-2-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 107098145
2-methyl-N-(pyrrolidin-3-ylmethyl)pyridine-3-carboxamide
CID 80564265

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-fluoro-N-(pyrrolidin-3-ylmethyl)benzamide?
The IUPAC name of 3-chloro-2-fluoro-N-(pyrrolidin-3-ylmethyl)benzamide (CID 81267075) is 3-chloro-2-fluoro-N-(pyrrolidin-3-ylmethyl)benzamide.
What is the SMILES notation for 3-chloro-2-fluoro-N-(pyrrolidin-3-ylmethyl)benzamide?
The canonical SMILES for 3-chloro-2-fluoro-N-(pyrrolidin-3-ylmethyl)benzamide is O=C(NCC1CCNC1)c1cccc(Cl)c1F.
What is the InChIKey of 3-chloro-2-fluoro-N-(pyrrolidin-3-ylmethyl)benzamide?
The InChIKey is JNCHZNMTEQDDSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClFN2O/c13-10-3-1-2-9(11(10)14)12(17)16-7-8-4-5-15-6-8/h1-3,8,15H,4-7H2,(H,16,17).
What are the key properties of 3-chloro-2-fluoro-N-(pyrrolidin-3-ylmethyl)benzamide?
3-chloro-2-fluoro-N-(pyrrolidin-3-ylmethyl)benzamide has a molecular weight of 256.71 g/mol, XLogP of 1.82, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-fluoro-N-(pyrrolidin-3-ylmethyl)benzamide is sourced from PubChem (CID 81267075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).