2-chloro-4-fluoro-N-(2-methylpropyl)-N-[(3S)-pyrrolidin-3-yl]benzamide

C15H20ClFN2O — CID 46882937

IUPAC2-chloro-4-fluoro-N-(2-methylpropyl)-N-[(3S)-pyrrolidin-3-yl]benzamide
SMILESCC(C)CN(C(=O)c1ccc(F)cc1Cl)[C@H]1CCNC1
InChIInChI=1S/C15H20ClFN2O/c1-10(2)9-19(12-5-6-18-8-12)15(20)13-4-3-11(17)7-14(13)16/h3-4,7,10,12,18H,5-6,8-9H2,1-2H3/t12-/m0/s1
InChIKeyGZJJRCVIVJXCPO-LBPRGKRZSA-N
MW298.79 g/mol
LogP2.94
Rot. Bonds4

About 2-chloro-4-fluoro-N-(2-methylpropyl)-N-[(3S)-pyrrolidin-3-yl]benzamide

2-chloro-4-fluoro-N-(2-methylpropyl)-N-[(3S)-pyrrolidin-3-yl]benzamide (PubChem CID 46882937) has the molecular formula C15H20ClFN2O and a molecular weight of 298.79 g/mol. Its IUPAC name is 2-chloro-4-fluoro-N-(2-methylpropyl)-N-[(3S)-pyrrolidin-3-yl]benzamide.

Molecular Properties

Compound Name2-chloro-4-fluoro-N-(2-methylpropyl)-N-[(3S)-pyrrolidin-3-yl]benzamide
PubChem CID46882937
Molecular FormulaC15H20ClFN2O
Molecular Weight298.79 g/mol
Exact Mass298.12
IUPAC Name2-chloro-4-fluoro-N-(2-methylpropyl)-N-[(3S)-pyrrolidin-3-yl]benzamide
SMILESCC(C)CN(C(=O)c1ccc(F)cc1Cl)[C@H]1CCNC1
InChIInChI=1S/C15H20ClFN2O/c1-10(2)9-19(12-5-6-18-8-12)15(20)13-4-3-11(17)7-14(13)16/h3-4,7,10,12,18H,5-6,8-9H2,1-2H3/t12-/m0/s1
InChIKeyGZJJRCVIVJXCPO-LBPRGKRZSA-N
XLogP2.94
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.79
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-chloro-4-fluoro-N-(2-methylpropyl)-N-[(3S)-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

N-butyl-2-chlorobenzamide
CID 347041
Z944
CID 44540045
1-(2-Chloro-benzoyl)-piperazine
CID 2060585
PF-184298
CID 11392888
N-methyl-SSR504734
CID 11704260
2,6-Dichloro-N-[1-(1-methylethyl)-4-piperidinyl]benzamide
CID 25236799
N-(2-chloro-4-fluorobenzyl)-1-isopropyl-5-oxoprolinamide
CID 20968164
Ro 16-6491
CID 4289
2-Chloro-N-cyclooctyl-4,5-difluorobenzamide
CID 600396
3-chloro-N-(3-methylbutyl)benzamide
CID 669768
2-chloro-N-(cyclopropylmethyl)benzamide
CID 2732307
4-Chloro-N-(1-methylethyl)benzamide
CID 24045

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-fluoro-N-(2-methylpropyl)-N-[(3S)-pyrrolidin-3-yl]benzamide?
The IUPAC name of 2-chloro-4-fluoro-N-(2-methylpropyl)-N-[(3S)-pyrrolidin-3-yl]benzamide (CID 46882937) is 2-chloro-4-fluoro-N-(2-methylpropyl)-N-[(3S)-pyrrolidin-3-yl]benzamide.
What is the SMILES notation for 2-chloro-4-fluoro-N-(2-methylpropyl)-N-[(3S)-pyrrolidin-3-yl]benzamide?
The canonical SMILES for 2-chloro-4-fluoro-N-(2-methylpropyl)-N-[(3S)-pyrrolidin-3-yl]benzamide is CC(C)CN(C(=O)c1ccc(F)cc1Cl)[C@H]1CCNC1.
What is the InChIKey of 2-chloro-4-fluoro-N-(2-methylpropyl)-N-[(3S)-pyrrolidin-3-yl]benzamide?
The InChIKey is GZJJRCVIVJXCPO-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H20ClFN2O/c1-10(2)9-19(12-5-6-18-8-12)15(20)13-4-3-11(17)7-14(13)16/h3-4,7,10,12,18H,5-6,8-9H2,1-2H3/t12-/m0/s1.
What are the key properties of 2-chloro-4-fluoro-N-(2-methylpropyl)-N-[(3S)-pyrrolidin-3-yl]benzamide?
2-chloro-4-fluoro-N-(2-methylpropyl)-N-[(3S)-pyrrolidin-3-yl]benzamide has a molecular weight of 298.79 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-fluoro-N-(2-methylpropyl)-N-[(3S)-pyrrolidin-3-yl]benzamide is sourced from PubChem (CID 46882937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).