4-chloro-N-[4-(2-pyrrolidin-2-ylethyl)phenyl]benzamide

C19H21ClN2O — CID 53251569

IUPAC4-chloro-N-[4-(2-pyrrolidin-2-ylethyl)phenyl]benzamide
SMILESO=C(Nc1ccc(CCC2CCCN2)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C19H21ClN2O/c20-16-8-6-15(7-9-16)19(23)22-18-11-4-14(5-12-18)3-10-17-2-1-13-21-17/h4-9,11-12,17,21H,1-3,10,13H2,(H,22,23)
InChIKeyUUSZBTNSQDCNAK-UHFFFAOYSA-N
MW328.84 g/mol
LogP4.28
Rot. Bonds5

About 4-chloro-N-[4-(2-pyrrolidin-2-ylethyl)phenyl]benzamide

4-chloro-N-[4-(2-pyrrolidin-2-ylethyl)phenyl]benzamide (PubChem CID 53251569) has the molecular formula C19H21ClN2O and a molecular weight of 328.84 g/mol. Its IUPAC name is 4-chloro-N-[4-(2-pyrrolidin-2-ylethyl)phenyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[4-(2-pyrrolidin-2-ylethyl)phenyl]benzamide
PubChem CID53251569
Molecular FormulaC19H21ClN2O
Molecular Weight328.84 g/mol
Exact Mass328.13
IUPAC Name4-chloro-N-[4-(2-pyrrolidin-2-ylethyl)phenyl]benzamide
SMILESO=C(Nc1ccc(CCC2CCCN2)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C19H21ClN2O/c20-16-8-6-15(7-9-16)19(23)22-18-11-4-14(5-12-18)3-10-17-2-1-13-21-17/h4-9,11-12,17,21H,1-3,10,13H2,(H,22,23)
InChIKeyUUSZBTNSQDCNAK-UHFFFAOYSA-N
XLogP4.28
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.84
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-chloro-N-[4-(2-pyrrolidin-2-ylethyl)phenyl]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

4-fluoro-N-[4-(2-piperidin-2-ylethyl)phenyl]benzamide
CID 58315755
3,4-dichloro-N-[4-(2-pyrrolidin-2-ylethyl)phenyl]benzamide;N-[4-(2-pyrrolidin-2-ylethyl)phenyl]-4-(trifluoromethyl)benzamide
CID 157239980
4-chloro-N-[4-[2-[(3R)-pyrrolidin-3-yl]ethyl]phenyl]benzamide
CID 124566306
5-fluoro-N-[4-(2-pyrrolidin-2-ylethyl)phenyl]pyridine-2-carboxamide
CID 58315768
(2R)-N-[4-[(4-chlorobenzoyl)amino]phenyl]pyrrolidine-2-carboxamide
CID 95376963
1-[4-(2-pyrrolidin-2-ylethyl)phenyl]ethanone
CID 162399316
1-(4-chlorophenyl)-3-[2-[(2S)-pyrrolidin-2-yl]ethyl]urea
CID 104972330
N-(4-chlorophenyl)-4-(2-pyrrolidin-1-ylethyl)benzamide
CID 70967822
N-(4-chlorophenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119671239
4-benzamido-N-(pyrrolidin-2-ylmethyl)benzamide
CID 119513146
N-[4-[[(2S)-azetidin-2-yl]methyl]phenyl]-4-chlorobenzamide;2,2,2-trifluoroacetic acid
CID 129137241
N-[4-[2-[(3S)-5-amino-2,3-dihydro-1H-pyrrol-3-yl]ethyl]phenyl]-4-chlorobenzamide
CID 141320479

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-(2-pyrrolidin-2-ylethyl)phenyl]benzamide?
The IUPAC name of 4-chloro-N-[4-(2-pyrrolidin-2-ylethyl)phenyl]benzamide (CID 53251569) is 4-chloro-N-[4-(2-pyrrolidin-2-ylethyl)phenyl]benzamide.
What is the SMILES notation for 4-chloro-N-[4-(2-pyrrolidin-2-ylethyl)phenyl]benzamide?
The canonical SMILES for 4-chloro-N-[4-(2-pyrrolidin-2-ylethyl)phenyl]benzamide is O=C(Nc1ccc(CCC2CCCN2)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[4-(2-pyrrolidin-2-ylethyl)phenyl]benzamide?
The InChIKey is UUSZBTNSQDCNAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O/c20-16-8-6-15(7-9-16)19(23)22-18-11-4-14(5-12-18)3-10-17-2-1-13-21-17/h4-9,11-12,17,21H,1-3,10,13H2,(H,22,23).
What are the key properties of 4-chloro-N-[4-(2-pyrrolidin-2-ylethyl)phenyl]benzamide?
4-chloro-N-[4-(2-pyrrolidin-2-ylethyl)phenyl]benzamide has a molecular weight of 328.84 g/mol, XLogP of 4.28, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[4-(2-pyrrolidin-2-ylethyl)phenyl]benzamide is sourced from PubChem (CID 53251569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).