4-phenyl-N-[2-[(4-pyrrol-1-ylbenzoyl)amino]ethyl]benzamide

C26H23N3O2 — CID 108538421

IUPAC4-phenyl-N-[2-[(4-pyrrol-1-ylbenzoyl)amino]ethyl]benzamide
SMILESO=C(NCCNC(=O)c1ccc(-n2cccc2)cc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C26H23N3O2/c30-25(22-10-8-21(9-11-22)20-6-2-1-3-7-20)27-16-17-28-26(31)23-12-14-24(15-13-23)29-18-4-5-19-29/h1-15,18-19H,16-17H2,(H,27,30)(H,28,31)
InChIKeyJHPFAGWIFCOWAA-UHFFFAOYSA-N
MW409.49 g/mol
LogP4.30
Rot. Bonds7

About 4-phenyl-N-[2-[(4-pyrrol-1-ylbenzoyl)amino]ethyl]benzamide

4-phenyl-N-[2-[(4-pyrrol-1-ylbenzoyl)amino]ethyl]benzamide (PubChem CID 108538421) has the molecular formula C26H23N3O2 and a molecular weight of 409.49 g/mol. Its IUPAC name is 4-phenyl-N-[2-[(4-pyrrol-1-ylbenzoyl)amino]ethyl]benzamide.

Molecular Properties

Compound Name4-phenyl-N-[2-[(4-pyrrol-1-ylbenzoyl)amino]ethyl]benzamide
PubChem CID108538421
Molecular FormulaC26H23N3O2
Molecular Weight409.49 g/mol
Exact Mass409.18
IUPAC Name4-phenyl-N-[2-[(4-pyrrol-1-ylbenzoyl)amino]ethyl]benzamide
SMILESO=C(NCCNC(=O)c1ccc(-n2cccc2)cc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C26H23N3O2/c30-25(22-10-8-21(9-11-22)20-6-2-1-3-7-20)27-16-17-28-26(31)23-12-14-24(15-13-23)29-18-4-5-19-29/h1-15,18-19H,16-17H2,(H,27,30)(H,28,31)
InChIKeyJHPFAGWIFCOWAA-UHFFFAOYSA-N
XLogP4.30
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[(4-pyrrol-1-ylbenzoyl)amino]ethyl]pyridine-4-carboxamide
CID 108542296
N-propyl-4-pyrrol-1-ylbenzamide
CID 24536436
4-pyrrol-1-yl-N-(2-pyrrol-1-ylethyl)benzamide
CID 110742702
N-[2-(2,2-dimethylpropanoylamino)ethyl]-4-pyrrol-1-ylbenzamide
CID 108542314
4-pyrrol-1-yl-N-(2-thiophen-2-ylethyl)benzamide
CID 27770345
2-methoxy-N-[2-[(4-pyrrol-1-ylbenzoyl)amino]ethyl]benzamide
CID 108538081
N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]-4-pyrrol-1-ylbenzamide
CID 56724534
N-[2-(4-chlorophenyl)ethyl]-4-pyrrol-1-ylbenzamide
CID 9403209
N-[2-(4-fluorophenyl)ethyl]-4-pyrrol-1-ylbenzamide
CID 9402673
(4-phenylphenyl)-[4-(4-pyrrol-1-ylbenzoyl)piperazin-1-yl]methanone
CID 108533783
N-[2-[3-(4-chlorophenyl)propanoylamino]ethyl]-4-pyrrol-1-ylbenzamide
CID 108542293
N-butyl-4-phenylbenzamide
CID 3637649

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-[2-[(4-pyrrol-1-ylbenzoyl)amino]ethyl]benzamide?
The IUPAC name of 4-phenyl-N-[2-[(4-pyrrol-1-ylbenzoyl)amino]ethyl]benzamide (CID 108538421) is 4-phenyl-N-[2-[(4-pyrrol-1-ylbenzoyl)amino]ethyl]benzamide.
What is the SMILES notation for 4-phenyl-N-[2-[(4-pyrrol-1-ylbenzoyl)amino]ethyl]benzamide?
The canonical SMILES for 4-phenyl-N-[2-[(4-pyrrol-1-ylbenzoyl)amino]ethyl]benzamide is O=C(NCCNC(=O)c1ccc(-n2cccc2)cc1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 4-phenyl-N-[2-[(4-pyrrol-1-ylbenzoyl)amino]ethyl]benzamide?
The InChIKey is JHPFAGWIFCOWAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O2/c30-25(22-10-8-21(9-11-22)20-6-2-1-3-7-20)27-16-17-28-26(31)23-12-14-24(15-13-23)29-18-4-5-19-29/h1-15,18-19H,16-17H2,(H,27,30)(H,28,31).
What are the key properties of 4-phenyl-N-[2-[(4-pyrrol-1-ylbenzoyl)amino]ethyl]benzamide?
4-phenyl-N-[2-[(4-pyrrol-1-ylbenzoyl)amino]ethyl]benzamide has a molecular weight of 409.49 g/mol, XLogP of 4.30, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-[2-[(4-pyrrol-1-ylbenzoyl)amino]ethyl]benzamide is sourced from PubChem (CID 108538421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).