2,4-dichloro-N-(5-chloro-4-methylpentyl)benzamide

C13H16Cl3NO — CID 106157104

IUPAC2,4-dichloro-N-(5-chloro-4-methylpentyl)benzamide
SMILESCC(CCl)CCCNC(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H16Cl3NO/c1-9(8-14)3-2-6-17-13(18)11-5-4-10(15)7-12(11)16/h4-5,7,9H,2-3,6,8H2,1H3,(H,17,18)
InChIKeyKAERYWQLTMLCND-UHFFFAOYSA-N
MW308.64 g/mol
LogP4.38
Rot. Bonds6

About 2,4-dichloro-N-(5-chloro-4-methylpentyl)benzamide

2,4-dichloro-N-(5-chloro-4-methylpentyl)benzamide (PubChem CID 106157104) has the molecular formula C13H16Cl3NO and a molecular weight of 308.64 g/mol. Its IUPAC name is 2,4-dichloro-N-(5-chloro-4-methylpentyl)benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-(5-chloro-4-methylpentyl)benzamide
PubChem CID106157104
Molecular FormulaC13H16Cl3NO
Molecular Weight308.64 g/mol
Exact Mass307.03
IUPAC Name2,4-dichloro-N-(5-chloro-4-methylpentyl)benzamide
SMILESCC(CCl)CCCNC(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H16Cl3NO/c1-9(8-14)3-2-6-17-13(18)11-5-4-10(15)7-12(11)16/h4-5,7,9H,2-3,6,8H2,1H3,(H,17,18)
InChIKeyKAERYWQLTMLCND-UHFFFAOYSA-N
XLogP4.38
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.64
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,4-dichloro-N-(4-methylpentyl)benzamide
CID 3288141
2,4-dichloro-N-nonylbenzamide
CID 3596264
5-chloro-N-(5-hydroxy-4-methylpentyl)-2-methylbenzamide
CID 103861766
4-bromo-N-(5-bromo-4-methylpentyl)-2-chlorobenzamide
CID 114151560
4-bromo-N-(5-chloro-4-methylpentyl)-2-hydroxybenzamide
CID 106156782
2-bromo-4-chloro-N-(5-hydroxy-4-methylpentyl)benzamide
CID 103862023
2,4-dichloro-N-[5-(2-methylpropylamino)-5-oxopentyl]benzamide
CID 149456189
N-(5-chloro-4-methylpentyl)-2-methyl-5-nitrobenzamide
CID 106156713
2,4-dichloro-N-[2-[(2-chlorobenzoyl)amino]ethyl]benzamide
CID 46433349
2,4-dichloro-N-(5-chloropentan-2-yl)benzamide
CID 114305887
2,4-dichloro-N-pent-4-ynylbenzamide
CID 103709106
N-(4-bromopentyl)-4-chloro-2-methylbenzamide
CID 106131582

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-(5-chloro-4-methylpentyl)benzamide?
The IUPAC name of 2,4-dichloro-N-(5-chloro-4-methylpentyl)benzamide (CID 106157104) is 2,4-dichloro-N-(5-chloro-4-methylpentyl)benzamide.
What is the SMILES notation for 2,4-dichloro-N-(5-chloro-4-methylpentyl)benzamide?
The canonical SMILES for 2,4-dichloro-N-(5-chloro-4-methylpentyl)benzamide is CC(CCl)CCCNC(=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-(5-chloro-4-methylpentyl)benzamide?
The InChIKey is KAERYWQLTMLCND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl3NO/c1-9(8-14)3-2-6-17-13(18)11-5-4-10(15)7-12(11)16/h4-5,7,9H,2-3,6,8H2,1H3,(H,17,18).
What are the key properties of 2,4-dichloro-N-(5-chloro-4-methylpentyl)benzamide?
2,4-dichloro-N-(5-chloro-4-methylpentyl)benzamide has a molecular weight of 308.64 g/mol, XLogP of 4.38, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-(5-chloro-4-methylpentyl)benzamide is sourced from PubChem (CID 106157104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).