2-chloro-3-fluoro-N-[(3R)-pyrrolidin-3-yl]benzamide

C11H12ClFN2O — CID 81461356

IUPAC2-chloro-3-fluoro-N-[(3R)-pyrrolidin-3-yl]benzamide
SMILESO=C(N[C@@H]1CCNC1)c1cccc(F)c1Cl
InChIInChI=1S/C11H12ClFN2O/c12-10-8(2-1-3-9(10)13)11(16)15-7-4-5-14-6-7/h1-3,7,14H,4-6H2,(H,15,16)/t7-/m1/s1
InChIKeySPJMAGHRNICWCR-SSDOTTSWSA-N
MW242.68 g/mol
LogP1.57
Rot. Bonds2

About 2-chloro-3-fluoro-N-[(3R)-pyrrolidin-3-yl]benzamide

2-chloro-3-fluoro-N-[(3R)-pyrrolidin-3-yl]benzamide (PubChem CID 81461356) has the molecular formula C11H12ClFN2O and a molecular weight of 242.68 g/mol. Its IUPAC name is 2-chloro-3-fluoro-N-[(3R)-pyrrolidin-3-yl]benzamide.

Molecular Properties

Compound Name2-chloro-3-fluoro-N-[(3R)-pyrrolidin-3-yl]benzamide
PubChem CID81461356
Molecular FormulaC11H12ClFN2O
Molecular Weight242.68 g/mol
Exact Mass242.06
IUPAC Name2-chloro-3-fluoro-N-[(3R)-pyrrolidin-3-yl]benzamide
SMILESO=C(N[C@@H]1CCNC1)c1cccc(F)c1Cl
InChIInChI=1S/C11H12ClFN2O/c12-10-8(2-1-3-9(10)13)11(16)15-7-4-5-14-6-7/h1-3,7,14H,4-6H2,(H,15,16)/t7-/m1/s1
InChIKeySPJMAGHRNICWCR-SSDOTTSWSA-N
XLogP1.57
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.68
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-chloro-3-fluoro-N-[(3R)-pyrrolidin-3-yl]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-chloro-3-fluoro-N-piperidin-4-ylbenzamide;hydrochloride
CID 119388266
2,3-dichloro-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 79688100
3-chloro-2-fluoro-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 81265233
2,6-difluoro-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 79689143
2,3-difluoro-N-piperidin-3-ylbenzamide;hydrochloride
CID 119428838
3-chloro-2-methyl-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 107098265
2,5-dichloro-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 79689600
2,3,4-trifluoro-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 79749815
3-[(2-chloro-3-fluorobenzoyl)amino]cyclohexane-1-carboxylic acid
CID 81454437
2-chloro-3-fluoro-N-[(4R)-1-methyl-2-oxopiperidin-4-yl]benzamide
CID 99840815
N-[(3S)-pyrrolidin-3-yl]naphthalene-1-carboxamide
CID 79689471
2,3,4-trifluoro-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119451891

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-fluoro-N-[(3R)-pyrrolidin-3-yl]benzamide?
The IUPAC name of 2-chloro-3-fluoro-N-[(3R)-pyrrolidin-3-yl]benzamide (CID 81461356) is 2-chloro-3-fluoro-N-[(3R)-pyrrolidin-3-yl]benzamide.
What is the SMILES notation for 2-chloro-3-fluoro-N-[(3R)-pyrrolidin-3-yl]benzamide?
The canonical SMILES for 2-chloro-3-fluoro-N-[(3R)-pyrrolidin-3-yl]benzamide is O=C(N[C@@H]1CCNC1)c1cccc(F)c1Cl.
What is the InChIKey of 2-chloro-3-fluoro-N-[(3R)-pyrrolidin-3-yl]benzamide?
The InChIKey is SPJMAGHRNICWCR-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H12ClFN2O/c12-10-8(2-1-3-9(10)13)11(16)15-7-4-5-14-6-7/h1-3,7,14H,4-6H2,(H,15,16)/t7-/m1/s1.
What are the key properties of 2-chloro-3-fluoro-N-[(3R)-pyrrolidin-3-yl]benzamide?
2-chloro-3-fluoro-N-[(3R)-pyrrolidin-3-yl]benzamide has a molecular weight of 242.68 g/mol, XLogP of 1.57, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-fluoro-N-[(3R)-pyrrolidin-3-yl]benzamide is sourced from PubChem (CID 81461356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).