4-chloro-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]benzamide

C19H21ClN2O — CID 16889466

IUPAC4-chloro-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]benzamide
SMILESO=C(NCCc1ccc(N2CCCC2)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C19H21ClN2O/c20-17-7-5-16(6-8-17)19(23)21-12-11-15-3-9-18(10-4-15)22-13-1-2-14-22/h3-10H,1-2,11-14H2,(H,21,23)
InChIKeyWTEZWGCCLAEMKU-UHFFFAOYSA-N
MW328.84 g/mol
LogP3.91
Rot. Bonds5

About 4-chloro-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]benzamide

4-chloro-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]benzamide (PubChem CID 16889466) has the molecular formula C19H21ClN2O and a molecular weight of 328.84 g/mol. Its IUPAC name is 4-chloro-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]benzamide
PubChem CID16889466
Molecular FormulaC19H21ClN2O
Molecular Weight328.84 g/mol
Exact Mass328.13
IUPAC Name4-chloro-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]benzamide
SMILESO=C(NCCc1ccc(N2CCCC2)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C19H21ClN2O/c20-17-7-5-16(6-8-17)19(23)21-12-11-15-3-9-18(10-4-15)22-13-1-2-14-22/h3-10H,1-2,11-14H2,(H,21,23)
InChIKeyWTEZWGCCLAEMKU-UHFFFAOYSA-N
XLogP3.91
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.84
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

2-(4-chlorophenyl)-N-[2-(4-piperidin-1-ylphenyl)ethyl]acetamide
CID 16890076
N-[2-[4-(azepan-1-yl)phenyl]ethyl]-4-methylbenzamide
CID 16889356
N-[2-(4-chlorophenyl)ethyl]-4-(pyrrolidin-1-ylmethyl)benzamide
CID 94773934
2,5-dichloro-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]benzamide
CID 16889501
N-[2-(4-chlorophenyl)ethyl]-4-(6-oxo-3-pyrrolidin-1-ylpyridazin-1-yl)benzamide
CID 50832217
N-[2-(4-piperidin-1-ylphenyl)ethyl]pyridine-4-carboxamide
CID 110404973
N-[2-(4-chlorophenyl)ethyl]-4-pyrrol-1-ylbenzamide
CID 9403209
4-(4-chlorophenyl)-N-[2-[4-(piperidin-1-ylmethyl)phenyl]ethyl]benzamide
CID 11743571
N-[2-(4-chlorophenyl)ethyl]-N'-(4-piperidin-1-ylphenyl)oxamide
CID 108985822
N-[2-(4-chlorophenyl)ethyl]-4-piperidin-1-ylsulfonylbenzamide
CID 4289503
4-chloro-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]benzamide
CID 42266927
4-(azepan-1-yl)-N-[2-(4-chlorophenyl)ethyl]pyridine-2-carboxamide
CID 109215435

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]benzamide?
The IUPAC name of 4-chloro-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]benzamide (CID 16889466) is 4-chloro-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]benzamide.
What is the SMILES notation for 4-chloro-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]benzamide?
The canonical SMILES for 4-chloro-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]benzamide is O=C(NCCc1ccc(N2CCCC2)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]benzamide?
The InChIKey is WTEZWGCCLAEMKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O/c20-17-7-5-16(6-8-17)19(23)21-12-11-15-3-9-18(10-4-15)22-13-1-2-14-22/h3-10H,1-2,11-14H2,(H,21,23).
What are the key properties of 4-chloro-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]benzamide?
4-chloro-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]benzamide has a molecular weight of 328.84 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]benzamide is sourced from PubChem (CID 16889466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).