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

C13H17Cl2NO — CID 3288141

IUPAC2,4-dichloro-N-(4-methylpentyl)benzamide
SMILESCC(C)CCCNC(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H17Cl2NO/c1-9(2)4-3-7-16-13(17)11-6-5-10(14)8-12(11)15/h5-6,8-9H,3-4,7H2,1-2H3,(H,16,17)
InChIKeyUIPCMEHKTMLFFF-UHFFFAOYSA-N
MW274.19 g/mol
LogP4.16
Rot. Bonds5

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

2,4-dichloro-N-(4-methylpentyl)benzamide (PubChem CID 3288141) has the molecular formula C13H17Cl2NO and a molecular weight of 274.19 g/mol. Its IUPAC name is 2,4-dichloro-N-(4-methylpentyl)benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-(4-methylpentyl)benzamide
PubChem CID3288141
Molecular FormulaC13H17Cl2NO
Molecular Weight274.19 g/mol
Exact Mass273.07
IUPAC Name2,4-dichloro-N-(4-methylpentyl)benzamide
SMILESCC(C)CCCNC(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H17Cl2NO/c1-9(2)4-3-7-16-13(17)11-6-5-10(14)8-12(11)15/h5-6,8-9H,3-4,7H2,1-2H3,(H,16,17)
InChIKeyUIPCMEHKTMLFFF-UHFFFAOYSA-N
XLogP4.16
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.19
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,4-dichloro-N-(5-chloro-4-methylpentyl)benzamide
CID 106157104
2,4-dichloro-N-[5-(2-methylpropylamino)-5-oxopentyl]benzamide
CID 149456189
2,4-dichloro-N-nonylbenzamide
CID 3596264
2,4-dichloro-N-[2-[(2-chlorobenzoyl)amino]ethyl]benzamide
CID 46433349
S-(4-methylpentyl) 2,4-dichlorobenzenecarbothioate
CID 130460399
2,4-dichloro-N-pent-4-ynylbenzamide
CID 103709106
2,4-dichloro-5-(4-methylpentylcarbamoyl)benzenesulfonyl chloride
CID 65396081
N-(4-bromopentyl)-4-chloro-2-methylbenzamide
CID 106131582
3-[(2,4-dichlorobenzoyl)amino]-2-methylpropanoic acid
CID 62676717
3-chloro-N-(7-methyloctyl)pyridine-4-carboxamide
CID 66481997
5-[(4-chloro-2-fluorobenzoyl)amino]-2-methylpentanoic acid
CID 104682759
2,4-dichloro-N-[(2S)-1-(3-hydroxypropylamino)-4-methyl-1-oxopentan-2-yl]benzamide
CID 98001708

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-(4-methylpentyl)benzamide?
The IUPAC name of 2,4-dichloro-N-(4-methylpentyl)benzamide (CID 3288141) is 2,4-dichloro-N-(4-methylpentyl)benzamide.
What is the SMILES notation for 2,4-dichloro-N-(4-methylpentyl)benzamide?
The canonical SMILES for 2,4-dichloro-N-(4-methylpentyl)benzamide is CC(C)CCCNC(=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-(4-methylpentyl)benzamide?
The InChIKey is UIPCMEHKTMLFFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2NO/c1-9(2)4-3-7-16-13(17)11-6-5-10(14)8-12(11)15/h5-6,8-9H,3-4,7H2,1-2H3,(H,16,17).
What are the key properties of 2,4-dichloro-N-(4-methylpentyl)benzamide?
2,4-dichloro-N-(4-methylpentyl)benzamide has a molecular weight of 274.19 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-(4-methylpentyl)benzamide is sourced from PubChem (CID 3288141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).