2-chloro-N-(4-phenylbutan-2-yl)benzamide

C17H18ClNO — CID 2902535

IUPAC2-chloro-N-(4-phenylbutan-2-yl)benzamide
SMILESCC(CCc1ccccc1)NC(=O)c1ccccc1Cl
InChIInChI=1S/C17H18ClNO/c1-13(11-12-14-7-3-2-4-8-14)19-17(20)15-9-5-6-10-16(15)18/h2-10,13H,11-12H2,1H3,(H,19,20)
InChIKeyRUEXTHFIODMPQB-UHFFFAOYSA-N
MW287.79 g/mol
LogP4.09
Rot. Bonds5

About 2-chloro-N-(4-phenylbutan-2-yl)benzamide

2-chloro-N-(4-phenylbutan-2-yl)benzamide (PubChem CID 2902535) has the molecular formula C17H18ClNO and a molecular weight of 287.79 g/mol. Its IUPAC name is 2-chloro-N-(4-phenylbutan-2-yl)benzamide.

Molecular Properties

Compound Name2-chloro-N-(4-phenylbutan-2-yl)benzamide
PubChem CID2902535
Molecular FormulaC17H18ClNO
Molecular Weight287.79 g/mol
Exact Mass287.11
IUPAC Name2-chloro-N-(4-phenylbutan-2-yl)benzamide
SMILESCC(CCc1ccccc1)NC(=O)c1ccccc1Cl
InChIInChI=1S/C17H18ClNO/c1-13(11-12-14-7-3-2-4-8-14)19-17(20)15-9-5-6-10-16(15)18/h2-10,13H,11-12H2,1H3,(H,19,20)
InChIKeyRUEXTHFIODMPQB-UHFFFAOYSA-N
XLogP4.09
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.79
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-chloro-N-(4-phenylbutan-2-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-phenylbutan-2-yl)benzamide?
The IUPAC name of 2-chloro-N-(4-phenylbutan-2-yl)benzamide (CID 2902535) is 2-chloro-N-(4-phenylbutan-2-yl)benzamide.
What is the SMILES notation for 2-chloro-N-(4-phenylbutan-2-yl)benzamide?
The canonical SMILES for 2-chloro-N-(4-phenylbutan-2-yl)benzamide is CC(CCc1ccccc1)NC(=O)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-(4-phenylbutan-2-yl)benzamide?
The InChIKey is RUEXTHFIODMPQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO/c1-13(11-12-14-7-3-2-4-8-14)19-17(20)15-9-5-6-10-16(15)18/h2-10,13H,11-12H2,1H3,(H,19,20).
What are the key properties of 2-chloro-N-(4-phenylbutan-2-yl)benzamide?
2-chloro-N-(4-phenylbutan-2-yl)benzamide has a molecular weight of 287.79 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-phenylbutan-2-yl)benzamide is sourced from PubChem (CID 2902535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).