N-(1-chloro-4-methylpentan-3-yl)-2-(4-chlorophenyl)acetamide

C14H19Cl2NO — CID 106354844

IUPACN-(1-chloro-4-methylpentan-3-yl)-2-(4-chlorophenyl)acetamide
SMILESCC(C)C(CCCl)NC(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C14H19Cl2NO/c1-10(2)13(7-8-15)17-14(18)9-11-3-5-12(16)6-4-11/h3-6,10,13H,7-9H2,1-2H3,(H,17,18)
InChIKeyCMJBUJIQLMUKQV-UHFFFAOYSA-N
MW288.22 g/mol
LogP3.65
Rot. Bonds6

About N-(1-chloro-4-methylpentan-3-yl)-2-(4-chlorophenyl)acetamide

N-(1-chloro-4-methylpentan-3-yl)-2-(4-chlorophenyl)acetamide (PubChem CID 106354844) has the molecular formula C14H19Cl2NO and a molecular weight of 288.22 g/mol. Its IUPAC name is N-(1-chloro-4-methylpentan-3-yl)-2-(4-chlorophenyl)acetamide.

Molecular Properties

Compound NameN-(1-chloro-4-methylpentan-3-yl)-2-(4-chlorophenyl)acetamide
PubChem CID106354844
Molecular FormulaC14H19Cl2NO
Molecular Weight288.22 g/mol
Exact Mass287.08
IUPAC NameN-(1-chloro-4-methylpentan-3-yl)-2-(4-chlorophenyl)acetamide
SMILESCC(C)C(CCCl)NC(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C14H19Cl2NO/c1-10(2)13(7-8-15)17-14(18)9-11-3-5-12(16)6-4-11/h3-6,10,13H,7-9H2,1-2H3,(H,17,18)
InChIKeyCMJBUJIQLMUKQV-UHFFFAOYSA-N
XLogP3.65
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.22
LogP ≤ 53.65
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)-2-(4-chlorophenyl)acetamide 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

2-(4-chlorophenyl)-N-[(2R)-3,3-dimethylbutan-2-yl]acetamide
CID 42561774
N-(1-chloro-4-methylpentan-3-yl)-3-(4-methylphenyl)propanamide
CID 106354576
N-(1-chloro-4-methylpentan-3-yl)-2-(2,5-dimethylphenyl)acetamide
CID 106354683
2-(4-chlorophenyl)-N-[(1R)-1-(4-chlorophenyl)ethyl]acetamide
CID 8751569
N-(1-chloro-4-methylpentan-3-yl)-2-(2-methoxyphenyl)acetamide
CID 106354657
methyl (2S)-2-[[2-(4-chlorophenyl)acetyl]amino]-3-methylbutanoate
CID 16625987
methyl 2-[[2-(4-chlorophenyl)acetyl]amino]propanoate
CID 60638078
N-[(2S)-1-aminopropan-2-yl]-2-(4-chlorophenyl)acetamide;hydrochloride
CID 120509175
N-(1-chloro-4-methylpentan-3-yl)-4-ethylbenzamide
CID 114177682
5-[[2-(4-chlorophenyl)acetyl]amino]hexanoic acid
CID 82855203
2-(2,4-dichlorophenyl)-N-(1-hydroxy-4-methylpentan-3-yl)acetamide
CID 103750934
2-(4-chlorophenyl)-N-[(4-chlorophenyl)-[[2-(4-chlorophenyl)acetyl]amino]methyl]acetamide
CID 71459140

Frequently Asked Questions

What is the IUPAC name of N-(1-chloro-4-methylpentan-3-yl)-2-(4-chlorophenyl)acetamide?
The IUPAC name of N-(1-chloro-4-methylpentan-3-yl)-2-(4-chlorophenyl)acetamide (CID 106354844) is N-(1-chloro-4-methylpentan-3-yl)-2-(4-chlorophenyl)acetamide.
What is the SMILES notation for N-(1-chloro-4-methylpentan-3-yl)-2-(4-chlorophenyl)acetamide?
The canonical SMILES for N-(1-chloro-4-methylpentan-3-yl)-2-(4-chlorophenyl)acetamide is CC(C)C(CCCl)NC(=O)Cc1ccc(Cl)cc1.
What is the InChIKey of N-(1-chloro-4-methylpentan-3-yl)-2-(4-chlorophenyl)acetamide?
The InChIKey is CMJBUJIQLMUKQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2NO/c1-10(2)13(7-8-15)17-14(18)9-11-3-5-12(16)6-4-11/h3-6,10,13H,7-9H2,1-2H3,(H,17,18).
What are the key properties of N-(1-chloro-4-methylpentan-3-yl)-2-(4-chlorophenyl)acetamide?
N-(1-chloro-4-methylpentan-3-yl)-2-(4-chlorophenyl)acetamide has a molecular weight of 288.22 g/mol, XLogP of 3.65, 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)-2-(4-chlorophenyl)acetamide is sourced from PubChem (CID 106354844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).