N-(1-chloro-4-methylpentan-3-yl)-4-ethylbenzamide

C15H22ClNO — CID 114177682

IUPACN-(1-chloro-4-methylpentan-3-yl)-4-ethylbenzamide
SMILESCCc1ccc(C(=O)NC(CCCl)C(C)C)cc1
InChIInChI=1S/C15H22ClNO/c1-4-12-5-7-13(8-6-12)15(18)17-14(9-10-16)11(2)3/h5-8,11,14H,4,9-10H2,1-3H3,(H,17,18)
InChIKeyWKWXXQUXFQRPPY-UHFFFAOYSA-N
MW267.80 g/mol
LogP3.63
Rot. Bonds6

About N-(1-chloro-4-methylpentan-3-yl)-4-ethylbenzamide

N-(1-chloro-4-methylpentan-3-yl)-4-ethylbenzamide (PubChem CID 114177682) has the molecular formula C15H22ClNO and a molecular weight of 267.80 g/mol. Its IUPAC name is N-(1-chloro-4-methylpentan-3-yl)-4-ethylbenzamide.

Molecular Properties

Compound NameN-(1-chloro-4-methylpentan-3-yl)-4-ethylbenzamide
PubChem CID114177682
Molecular FormulaC15H22ClNO
Molecular Weight267.80 g/mol
Exact Mass267.14
IUPAC NameN-(1-chloro-4-methylpentan-3-yl)-4-ethylbenzamide
SMILESCCc1ccc(C(=O)NC(CCCl)C(C)C)cc1
InChIInChI=1S/C15H22ClNO/c1-4-12-5-7-13(8-6-12)15(18)17-14(9-10-16)11(2)3/h5-8,11,14H,4,9-10H2,1-3H3,(H,17,18)
InChIKeyWKWXXQUXFQRPPY-UHFFFAOYSA-N
XLogP3.63
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.80
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-(1-chloro-4-methylpentan-3-yl)-4-ethylbenzamide 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-(1-amino-4-methylpentan-3-yl)-4-ethylbenzamide
CID 106356762
N-(1-chloro-4,4-dimethylpentan-3-yl)-4-ethylbenzamide
CID 106355559
N-(1-chloro-4-methylpentan-3-yl)-3,4-dihydroxybenzamide
CID 106354668
N-(1-chloro-4-methylpentan-3-yl)-3,4-dimethylbenzamide
CID 114177722
4-(chloromethyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide
CID 79250325
3-chloro-N-(1-chloro-4-methylpentan-3-yl)-4-iodobenzamide
CID 106354755
N-(1-chloro-4-methylpentan-3-yl)pyridazine-4-carboxamide
CID 106354809
N-(1-chloro-4-methylpentan-3-yl)quinoxaline-6-carboxamide
CID 106354926
(2S)-2-[(4-ethylbenzoyl)amino]-3-methylbutanoate
CID 6968937
N-(1-chloro-4-methylpentan-3-yl)furan-2-carboxamide
CID 106354882
3-bromo-N-(1-chloro-4-methylpentan-3-yl)-4-methoxybenzamide
CID 106354988
4-chloro-N-(1-chloro-3-methylbutan-2-yl)benzamide
CID 114305535

Frequently Asked Questions

What is the IUPAC name of N-(1-chloro-4-methylpentan-3-yl)-4-ethylbenzamide?
The IUPAC name of N-(1-chloro-4-methylpentan-3-yl)-4-ethylbenzamide (CID 114177682) is N-(1-chloro-4-methylpentan-3-yl)-4-ethylbenzamide.
What is the SMILES notation for N-(1-chloro-4-methylpentan-3-yl)-4-ethylbenzamide?
The canonical SMILES for N-(1-chloro-4-methylpentan-3-yl)-4-ethylbenzamide is CCc1ccc(C(=O)NC(CCCl)C(C)C)cc1.
What is the InChIKey of N-(1-chloro-4-methylpentan-3-yl)-4-ethylbenzamide?
The InChIKey is WKWXXQUXFQRPPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO/c1-4-12-5-7-13(8-6-12)15(18)17-14(9-10-16)11(2)3/h5-8,11,14H,4,9-10H2,1-3H3,(H,17,18).
What are the key properties of N-(1-chloro-4-methylpentan-3-yl)-4-ethylbenzamide?
N-(1-chloro-4-methylpentan-3-yl)-4-ethylbenzamide has a molecular weight of 267.80 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloro-4-methylpentan-3-yl)-4-ethylbenzamide is sourced from PubChem (CID 114177682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).