N-[2-(4-chlorophenyl)ethyl]-4-pyrrol-1-ylbenzamide

C19H17ClN2O — CID 9403209

IUPACN-[2-(4-chlorophenyl)ethyl]-4-pyrrol-1-ylbenzamide
SMILESO=C(NCCc1ccc(Cl)cc1)c1ccc(-n2cccc2)cc1
InChIInChI=1S/C19H17ClN2O/c20-17-7-3-15(4-8-17)11-12-21-19(23)16-5-9-18(10-6-16)22-13-1-2-14-22/h1-10,13-14H,11-12H2,(H,21,23)
InChIKeyKOWPUKZNDQLRFN-UHFFFAOYSA-N
MW324.81 g/mol
LogP4.10
Rot. Bonds5

About N-[2-(4-chlorophenyl)ethyl]-4-pyrrol-1-ylbenzamide

N-[2-(4-chlorophenyl)ethyl]-4-pyrrol-1-ylbenzamide (PubChem CID 9403209) has the molecular formula C19H17ClN2O and a molecular weight of 324.81 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-4-pyrrol-1-ylbenzamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-4-pyrrol-1-ylbenzamide
PubChem CID9403209
Molecular FormulaC19H17ClN2O
Molecular Weight324.81 g/mol
Exact Mass324.10
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-4-pyrrol-1-ylbenzamide
SMILESO=C(NCCc1ccc(Cl)cc1)c1ccc(-n2cccc2)cc1
InChIInChI=1S/C19H17ClN2O/c20-17-7-3-15(4-8-17)11-12-21-19(23)16-5-9-18(10-6-16)22-13-1-2-14-22/h1-10,13-14H,11-12H2,(H,21,23)
InChIKeyKOWPUKZNDQLRFN-UHFFFAOYSA-N
XLogP4.10
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.81
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[2-(4-chlorophenyl)ethyl]-4-pyrrol-1-ylbenzamide 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-[2-[3-(4-chlorophenyl)propanoylamino]ethyl]-4-pyrrol-1-ylbenzamide
CID 108542293
N-[2-(4-fluorophenyl)ethyl]-4-pyrrol-1-ylbenzamide
CID 9402673
4-chloro-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]benzamide
CID 16889466
N-[2-(4-chlorophenyl)ethyl]-4-fluorobenzamide
CID 737426
1-N,3-N-bis[2-(4-chlorophenyl)ethyl]benzene-1,3-dicarboxamide
CID 1242332
N-propyl-4-pyrrol-1-ylbenzamide
CID 24536436
1-N-butyl-4-N-[2-(4-chlorophenyl)ethyl]benzene-1,4-dicarboxamide
CID 109043698
4-chloro-N-[4-oxo-4-[2-(4-pyrazol-1-ylphenyl)ethylamino]butyl]benzamide
CID 26081615
N-[2-(4-chlorophenyl)ethyl]-4-(pyrrolidin-1-ylmethyl)benzamide
CID 94773934
4-pyrrol-1-yl-N-(2-pyrrol-1-ylethyl)benzamide
CID 110742702
4-phenyl-N-[2-[(4-pyrrol-1-ylbenzoyl)amino]ethyl]benzamide
CID 108538421
N-[2-[(4-pyrrol-1-ylbenzoyl)amino]ethyl]pyridine-4-carboxamide
CID 108542296

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-4-pyrrol-1-ylbenzamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-4-pyrrol-1-ylbenzamide (CID 9403209) is N-[2-(4-chlorophenyl)ethyl]-4-pyrrol-1-ylbenzamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-4-pyrrol-1-ylbenzamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-4-pyrrol-1-ylbenzamide is O=C(NCCc1ccc(Cl)cc1)c1ccc(-n2cccc2)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-4-pyrrol-1-ylbenzamide?
The InChIKey is KOWPUKZNDQLRFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O/c20-17-7-3-15(4-8-17)11-12-21-19(23)16-5-9-18(10-6-16)22-13-1-2-14-22/h1-10,13-14H,11-12H2,(H,21,23).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-4-pyrrol-1-ylbenzamide?
N-[2-(4-chlorophenyl)ethyl]-4-pyrrol-1-ylbenzamide has a molecular weight of 324.81 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-4-pyrrol-1-ylbenzamide is sourced from PubChem (CID 9403209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).