4-chloro-N-[(1S)-2-methyl-1-phenylpropyl]benzamide

C17H18ClNO — CID 9050596

IUPAC4-chloro-N-[(1S)-2-methyl-1-phenylpropyl]benzamide
SMILESCC(C)[C@H](NC(=O)c1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C17H18ClNO/c1-12(2)16(13-6-4-3-5-7-13)19-17(20)14-8-10-15(18)11-9-14/h3-12,16H,1-2H3,(H,19,20)/t16-/m0/s1
InChIKeyJZHWZNULGYJMTE-INIZCTEOSA-N
MW287.79 g/mol
LogP4.47
Rot. Bonds4

About 4-chloro-N-[(1S)-2-methyl-1-phenylpropyl]benzamide

4-chloro-N-[(1S)-2-methyl-1-phenylpropyl]benzamide (PubChem CID 9050596) has the molecular formula C17H18ClNO and a molecular weight of 287.79 g/mol. Its IUPAC name is 4-chloro-N-[(1S)-2-methyl-1-phenylpropyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[(1S)-2-methyl-1-phenylpropyl]benzamide
PubChem CID9050596
Molecular FormulaC17H18ClNO
Molecular Weight287.79 g/mol
Exact Mass287.11
IUPAC Name4-chloro-N-[(1S)-2-methyl-1-phenylpropyl]benzamide
SMILESCC(C)[C@H](NC(=O)c1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C17H18ClNO/c1-12(2)16(13-6-4-3-5-7-13)19-17(20)14-8-10-15(18)11-9-14/h3-12,16H,1-2H3,(H,19,20)/t16-/m0/s1
InChIKeyJZHWZNULGYJMTE-INIZCTEOSA-N
XLogP4.47
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.79
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-chloro-N-[(1S)-2-methyl-1-phenylpropyl]benzamide 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-[(1S)-2-methyl-1-phenylpropyl]-4-phenylbenzamide
CID 6594177
4-methyl-N-[(1S)-2-methyl-1-phenylpropyl]benzamide
CID 9050629
4-amino-N-[1-(4-chlorophenyl)-2-methylpropyl]benzamide
CID 43704007
phenyl N-[1-(4-chlorophenyl)-2-methylpropyl]carbamate
CID 60709177
N-[1-(4-chlorophenyl)-2-methylpropyl]-6-oxo-1H-pyridine-3-carboxamide
CID 60708849
3-amino-N-[1-(4-chlorophenyl)-2-methylpropyl]benzamide
CID 43704006
N-[(1S,2R)-2-hydroxy-1-phenylpropyl]benzamide
CID 6934600
N-[1-(4-chlorophenyl)-2-methylpropyl]-5-iodothiophene-3-carboxamide
CID 79693410
4-chloro-N-(3-methylbutan-2-yl)benzamide
CID 4263927
4-chloro-N-propan-2-ylbenzamide
CID 24045
4-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide
CID 1480121
4-fluoro-N-[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]benzamide
CID 7670865

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(1S)-2-methyl-1-phenylpropyl]benzamide?
The IUPAC name of 4-chloro-N-[(1S)-2-methyl-1-phenylpropyl]benzamide (CID 9050596) is 4-chloro-N-[(1S)-2-methyl-1-phenylpropyl]benzamide.
What is the SMILES notation for 4-chloro-N-[(1S)-2-methyl-1-phenylpropyl]benzamide?
The canonical SMILES for 4-chloro-N-[(1S)-2-methyl-1-phenylpropyl]benzamide is CC(C)[C@H](NC(=O)c1ccc(Cl)cc1)c1ccccc1.
What is the InChIKey of 4-chloro-N-[(1S)-2-methyl-1-phenylpropyl]benzamide?
The InChIKey is JZHWZNULGYJMTE-INIZCTEOSA-N. The full InChI is InChI=1S/C17H18ClNO/c1-12(2)16(13-6-4-3-5-7-13)19-17(20)14-8-10-15(18)11-9-14/h3-12,16H,1-2H3,(H,19,20)/t16-/m0/s1.
What are the key properties of 4-chloro-N-[(1S)-2-methyl-1-phenylpropyl]benzamide?
4-chloro-N-[(1S)-2-methyl-1-phenylpropyl]benzamide has a molecular weight of 287.79 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(1S)-2-methyl-1-phenylpropyl]benzamide is sourced from PubChem (CID 9050596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).