3-chloro-N-(1-chloro-4-methylpentan-3-yl)-5-methylbenzamide

C14H19Cl2NO — CID 106355004

IUPAC3-chloro-N-(1-chloro-4-methylpentan-3-yl)-5-methylbenzamide
SMILESCc1cc(Cl)cc(C(=O)NC(CCCl)C(C)C)c1
InChIInChI=1S/C14H19Cl2NO/c1-9(2)13(4-5-15)17-14(18)11-6-10(3)7-12(16)8-11/h6-9,13H,4-5H2,1-3H3,(H,17,18)
InChIKeyQGVJFDFSHSZWFS-UHFFFAOYSA-N
MW288.22 g/mol
LogP4.03
Rot. Bonds5

About 3-chloro-N-(1-chloro-4-methylpentan-3-yl)-5-methylbenzamide

3-chloro-N-(1-chloro-4-methylpentan-3-yl)-5-methylbenzamide (PubChem CID 106355004) has the molecular formula C14H19Cl2NO and a molecular weight of 288.22 g/mol. Its IUPAC name is 3-chloro-N-(1-chloro-4-methylpentan-3-yl)-5-methylbenzamide.

Molecular Properties

Compound Name3-chloro-N-(1-chloro-4-methylpentan-3-yl)-5-methylbenzamide
PubChem CID106355004
Molecular FormulaC14H19Cl2NO
Molecular Weight288.22 g/mol
Exact Mass287.08
IUPAC Name3-chloro-N-(1-chloro-4-methylpentan-3-yl)-5-methylbenzamide
SMILESCc1cc(Cl)cc(C(=O)NC(CCCl)C(C)C)c1
InChIInChI=1S/C14H19Cl2NO/c1-9(2)13(4-5-15)17-14(18)11-6-10(3)7-12(16)8-11/h6-9,13H,4-5H2,1-3H3,(H,17,18)
InChIKeyQGVJFDFSHSZWFS-UHFFFAOYSA-N
XLogP4.03
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.22
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3,5-dichloro-N-(1-hydroxy-4-methylpentan-3-yl)benzamide
CID 113254978
3,5-dichloro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide
CID 79252918
4-[(3-chloro-5-methylbenzoyl)amino]pentanoic acid
CID 81323373
N-(1-chloro-4-methylpentan-3-yl)-3,4-dimethylbenzamide
CID 114177722
(2S)-2-[(3-chloro-5-methylbenzoyl)amino]-3-methylbutanoic acid
CID 81323454
N-(1-bromo-3-methylbutan-2-yl)-3,5-dichlorobenzamide
CID 114316290
3-chloro-N-(1-chlorobutan-2-yl)-5-methylbenzamide
CID 114294418
N-(1-chloro-4-methylpentan-3-yl)-3,4-dihydroxybenzamide
CID 106354668
3-bromo-5-chloro-N-(1-chloro-3-methylbutan-2-yl)benzamide
CID 107941583
3-chloro-N-(1-chloro-4-methylpentan-3-yl)-4-iodobenzamide
CID 106354755
3-chloro-N-(1-cyanoethyl)-5-methylbenzamide
CID 81007451
N-but-3-yn-2-yl-3-chloro-5-methylbenzamide
CID 114389858

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(1-chloro-4-methylpentan-3-yl)-5-methylbenzamide?
The IUPAC name of 3-chloro-N-(1-chloro-4-methylpentan-3-yl)-5-methylbenzamide (CID 106355004) is 3-chloro-N-(1-chloro-4-methylpentan-3-yl)-5-methylbenzamide.
What is the SMILES notation for 3-chloro-N-(1-chloro-4-methylpentan-3-yl)-5-methylbenzamide?
The canonical SMILES for 3-chloro-N-(1-chloro-4-methylpentan-3-yl)-5-methylbenzamide is Cc1cc(Cl)cc(C(=O)NC(CCCl)C(C)C)c1.
What is the InChIKey of 3-chloro-N-(1-chloro-4-methylpentan-3-yl)-5-methylbenzamide?
The InChIKey is QGVJFDFSHSZWFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2NO/c1-9(2)13(4-5-15)17-14(18)11-6-10(3)7-12(16)8-11/h6-9,13H,4-5H2,1-3H3,(H,17,18).
What are the key properties of 3-chloro-N-(1-chloro-4-methylpentan-3-yl)-5-methylbenzamide?
3-chloro-N-(1-chloro-4-methylpentan-3-yl)-5-methylbenzamide has a molecular weight of 288.22 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(1-chloro-4-methylpentan-3-yl)-5-methylbenzamide is sourced from PubChem (CID 106355004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).