4-chloro-N-[2-ethyl-4-methyl-2-(2-methylpropyl)pentyl]benzamide

C19H30ClNO — CID 123692318

IUPAC4-chloro-N-[2-ethyl-4-methyl-2-(2-methylpropyl)pentyl]benzamide
SMILESCCC(CNC(=O)c1ccc(Cl)cc1)(CC(C)C)CC(C)C
InChIInChI=1S/C19H30ClNO/c1-6-19(11-14(2)3,12-15(4)5)13-21-18(22)16-7-9-17(20)10-8-16/h7-10,14-15H,6,11-13H2,1-5H3,(H,21,22)
InChIKeyWHUPTCVQHDWPDE-UHFFFAOYSA-N
MW323.91 g/mol
LogP5.56
Rot. Bonds8

About 4-chloro-N-[2-ethyl-4-methyl-2-(2-methylpropyl)pentyl]benzamide

4-chloro-N-[2-ethyl-4-methyl-2-(2-methylpropyl)pentyl]benzamide (PubChem CID 123692318) has the molecular formula C19H30ClNO and a molecular weight of 323.91 g/mol. Its IUPAC name is 4-chloro-N-[2-ethyl-4-methyl-2-(2-methylpropyl)pentyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[2-ethyl-4-methyl-2-(2-methylpropyl)pentyl]benzamide
PubChem CID123692318
Molecular FormulaC19H30ClNO
Molecular Weight323.91 g/mol
Exact Mass323.20
IUPAC Name4-chloro-N-[2-ethyl-4-methyl-2-(2-methylpropyl)pentyl]benzamide
SMILESCCC(CNC(=O)c1ccc(Cl)cc1)(CC(C)C)CC(C)C
InChIInChI=1S/C19H30ClNO/c1-6-19(11-14(2)3,12-15(4)5)13-21-18(22)16-7-9-17(20)10-8-16/h7-10,14-15H,6,11-13H2,1-5H3,(H,21,22)
InChIKeyWHUPTCVQHDWPDE-UHFFFAOYSA-N
XLogP5.56
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.91
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-chloro-N-[2-ethyl-4-methyl-2-(2-methylpropyl)pentyl]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-[2-(chloromethyl)-2-ethylbutyl]-4-hydroxybenzamide
CID 106253561
4-fluoro-N-[5-methyl-2,2-bis(2-methylpropyl)hexyl]benzamide
CID 123815567
[5-[[(4-chlorobenzoyl)amino]methyl]-2,7-dimethyl-5-(2-methylpropyl)octan-4-yl] 4-chlorobenzoate
CID 67419489
4-acetamido-N-[2-(4-chlorophenyl)-2-ethylbutyl]benzamide
CID 60621325
2-ethyl-2-[[(4-propan-2-ylbenzoyl)amino]methyl]butanoic acid
CID 115429720
4-[(4-chlorobenzoyl)amino]-2-methylbutanoic acid
CID 80538177
N-(3-amino-2,2-dimethylpropyl)-4-propan-2-ylbenzamide
CID 115365755
N-(2-bromo-4-methylpentyl)-4-chlorobenzamide
CID 107157900
N-[2-(butan-2-ylamino)-2-oxoethyl]-4-chlorobenzamide
CID 60634738
N-[2-(bromomethyl)-2-ethylbutyl]-4-fluorobenzamide
CID 114164806
4-chloro-3-fluoro-N-(2-hydroxy-2,4-dimethylpentyl)benzamide
CID 107989597
N-(3-amino-2,2-difluoropropyl)-4-chlorobenzamide
CID 114383666

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-ethyl-4-methyl-2-(2-methylpropyl)pentyl]benzamide?
The IUPAC name of 4-chloro-N-[2-ethyl-4-methyl-2-(2-methylpropyl)pentyl]benzamide (CID 123692318) is 4-chloro-N-[2-ethyl-4-methyl-2-(2-methylpropyl)pentyl]benzamide.
What is the SMILES notation for 4-chloro-N-[2-ethyl-4-methyl-2-(2-methylpropyl)pentyl]benzamide?
The canonical SMILES for 4-chloro-N-[2-ethyl-4-methyl-2-(2-methylpropyl)pentyl]benzamide is CCC(CNC(=O)c1ccc(Cl)cc1)(CC(C)C)CC(C)C.
What is the InChIKey of 4-chloro-N-[2-ethyl-4-methyl-2-(2-methylpropyl)pentyl]benzamide?
The InChIKey is WHUPTCVQHDWPDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30ClNO/c1-6-19(11-14(2)3,12-15(4)5)13-21-18(22)16-7-9-17(20)10-8-16/h7-10,14-15H,6,11-13H2,1-5H3,(H,21,22).
What are the key properties of 4-chloro-N-[2-ethyl-4-methyl-2-(2-methylpropyl)pentyl]benzamide?
4-chloro-N-[2-ethyl-4-methyl-2-(2-methylpropyl)pentyl]benzamide has a molecular weight of 323.91 g/mol, XLogP of 5.56, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-ethyl-4-methyl-2-(2-methylpropyl)pentyl]benzamide is sourced from PubChem (CID 123692318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).