N-(2-tert-butylpentyl)-4-chlorobenzamide

C16H24ClNO — CID 123715047

IUPACN-(2-tert-butylpentyl)-4-chlorobenzamide
SMILESCCCC(CNC(=O)c1ccc(Cl)cc1)C(C)(C)C
InChIInChI=1S/C16H24ClNO/c1-5-6-13(16(2,3)4)11-18-15(19)12-7-9-14(17)10-8-12/h7-10,13H,5-6,11H2,1-4H3,(H,18,19)
InChIKeyZLFRIFFJWUCLHF-UHFFFAOYSA-N
MW281.83 g/mol
LogP4.53
Rot. Bonds5

About N-(2-tert-butylpentyl)-4-chlorobenzamide

N-(2-tert-butylpentyl)-4-chlorobenzamide (PubChem CID 123715047) has the molecular formula C16H24ClNO and a molecular weight of 281.83 g/mol. Its IUPAC name is N-(2-tert-butylpentyl)-4-chlorobenzamide.

Molecular Properties

Compound NameN-(2-tert-butylpentyl)-4-chlorobenzamide
PubChem CID123715047
Molecular FormulaC16H24ClNO
Molecular Weight281.83 g/mol
Exact Mass281.15
IUPAC NameN-(2-tert-butylpentyl)-4-chlorobenzamide
SMILESCCCC(CNC(=O)c1ccc(Cl)cc1)C(C)(C)C
InChIInChI=1S/C16H24ClNO/c1-5-6-13(16(2,3)4)11-18-15(19)12-7-9-14(17)10-8-12/h7-10,13H,5-6,11H2,1-4H3,(H,18,19)
InChIKeyZLFRIFFJWUCLHF-UHFFFAOYSA-N
XLogP4.53
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.83
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-(2-tert-butylpentyl)-4-chlorobenzamide 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-tert-butyl-5-methylhexyl)-4-fluorobenzamide
CID 123280491
4-chloro-N-(4-chloro-2-ethylbutyl)benzamide
CID 114306518
4-chloro-N-[2-(4-chlorophenyl)-2-hydroxyethyl]benzamide
CID 110885428
[4-[[(4-chlorobenzoyl)amino]methyl]-5,5-dimethylhexan-3-yl] 4-chlorobenzoate
CID 67419476
4-chloro-N-(4-hydroxy-2-methylbutyl)benzamide
CID 66106185
4-chloro-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide
CID 103941003
4-chloro-N-[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]benzamide
CID 166959386
4-chloro-N-[2-(4-chlorophenoxy)propyl]benzamide
CID 51065326
N-(3-amino-2-methylpropyl)-4-chlorobenzamide;hydrochloride
CID 119996366
4-chloro-N-(3,3-difluoro-2-hydroxypropyl)benzamide
CID 103770168
4-chloro-N-(2-chloro-3-methoxypropyl)benzamide
CID 114298950
N-(2-bromo-4-methylpentyl)-4-chlorobenzamide
CID 107157900

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylpentyl)-4-chlorobenzamide?
The IUPAC name of N-(2-tert-butylpentyl)-4-chlorobenzamide (CID 123715047) is N-(2-tert-butylpentyl)-4-chlorobenzamide.
What is the SMILES notation for N-(2-tert-butylpentyl)-4-chlorobenzamide?
The canonical SMILES for N-(2-tert-butylpentyl)-4-chlorobenzamide is CCCC(CNC(=O)c1ccc(Cl)cc1)C(C)(C)C.
What is the InChIKey of N-(2-tert-butylpentyl)-4-chlorobenzamide?
The InChIKey is ZLFRIFFJWUCLHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO/c1-5-6-13(16(2,3)4)11-18-15(19)12-7-9-14(17)10-8-12/h7-10,13H,5-6,11H2,1-4H3,(H,18,19).
What are the key properties of N-(2-tert-butylpentyl)-4-chlorobenzamide?
N-(2-tert-butylpentyl)-4-chlorobenzamide has a molecular weight of 281.83 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylpentyl)-4-chlorobenzamide is sourced from PubChem (CID 123715047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).