N-butyl-4-phenylbenzamide

C17H19NO — CID 3637649

IUPACN-butyl-4-phenylbenzamide
SMILESCCCCNC(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C17H19NO/c1-2-3-13-18-17(19)16-11-9-15(10-12-16)14-7-5-4-6-8-14/h4-12H,2-3,13H2,1H3,(H,18,19)
InChIKeyWGSJUYGDRVTDJJ-UHFFFAOYSA-N
MW253.35 g/mol
LogP3.88
Rot. Bonds5

About N-butyl-4-phenylbenzamide

N-butyl-4-phenylbenzamide (PubChem CID 3637649) has the molecular formula C17H19NO and a molecular weight of 253.35 g/mol. Its IUPAC name is N-butyl-4-phenylbenzamide.

Molecular Properties

Compound NameN-butyl-4-phenylbenzamide
PubChem CID3637649
Molecular FormulaC17H19NO
Molecular Weight253.35 g/mol
Exact Mass253.15
IUPAC NameN-butyl-4-phenylbenzamide
SMILESCCCCNC(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C17H19NO/c1-2-3-13-18-17(19)16-11-9-15(10-12-16)14-7-5-4-6-8-14/h4-12H,2-3,13H2,1H3,(H,18,19)
InChIKeyWGSJUYGDRVTDJJ-UHFFFAOYSA-N
XLogP3.88
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-butyl-4-phenylbenzamide 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-(3-acetamidopropyl)-4-phenylbenzamide
CID 38450168
diethyl-[3-[(4-phenylbenzoyl)amino]propyl]azanium
CID 7029075
N-pentyl-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
CID 24605190
N-[3-(dibutylamino)propyl]-4-[4-[3-(dibutylamino)propylcarbamoyl]phenyl]benzamide
CID 139954581
N-[4-(butylamino)-4-oxobutyl]benzamide
CID 78795173
N-[3-(2-methoxyethoxy)propyl]-4-phenylbenzamide
CID 134029636
1-N-butyl-4-N-methyl-4-N-phenylbenzene-1,4-dicarboxamide
CID 109043733
N-butyl-4-thiophen-3-ylbenzamide
CID 155529683
N-butyl-2-[(4-phenylbenzoyl)carbamothioylamino]benzamide
CID 17149440
N-[3-[heptyl(hexyl)amino]propyl]-4-[4-[3-[heptyl(hexyl)amino]propylcarbamoyl]phenyl]benzamide
CID 139955686
N-[3-[octyl(pentyl)amino]propyl]-4-[4-[3-[octyl(pentyl)amino]propylcarbamoyl]phenyl]benzamide
CID 139956044
N-[3-[heptyl(octyl)amino]propyl]-4-[4-[3-[heptyl(octyl)amino]propylcarbamoyl]phenyl]benzamide
CID 139954884

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-phenylbenzamide?
The IUPAC name of N-butyl-4-phenylbenzamide (CID 3637649) is N-butyl-4-phenylbenzamide.
What is the SMILES notation for N-butyl-4-phenylbenzamide?
The canonical SMILES for N-butyl-4-phenylbenzamide is CCCCNC(=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-butyl-4-phenylbenzamide?
The InChIKey is WGSJUYGDRVTDJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO/c1-2-3-13-18-17(19)16-11-9-15(10-12-16)14-7-5-4-6-8-14/h4-12H,2-3,13H2,1H3,(H,18,19).
What are the key properties of N-butyl-4-phenylbenzamide?
N-butyl-4-phenylbenzamide has a molecular weight of 253.35 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-phenylbenzamide is sourced from PubChem (CID 3637649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).