N-(4-chloro-2-methylphenyl)-2-ethylbutanamide

C13H18ClNO — CID 882107

IUPACN-(4-chloro-2-methylphenyl)-2-ethylbutanamide
SMILESCCC(CC)C(=O)Nc1ccc(Cl)cc1C
InChIInChI=1S/C13H18ClNO/c1-4-10(5-2)13(16)15-12-7-6-11(14)8-9(12)3/h6-8,10H,4-5H2,1-3H3,(H,15,16)
InChIKeyQQHSGJYSIVJEBE-UHFFFAOYSA-N
MW239.75 g/mol
LogP4.02
Rot. Bonds4

About N-(4-chloro-2-methylphenyl)-2-ethylbutanamide

N-(4-chloro-2-methylphenyl)-2-ethylbutanamide (PubChem CID 882107) has the molecular formula C13H18ClNO and a molecular weight of 239.75 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-2-ethylbutanamide.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)-2-ethylbutanamide
PubChem CID882107
Molecular FormulaC13H18ClNO
Molecular Weight239.75 g/mol
Exact Mass239.11
IUPAC NameN-(4-chloro-2-methylphenyl)-2-ethylbutanamide
SMILESCCC(CC)C(=O)Nc1ccc(Cl)cc1C
InChIInChI=1S/C13H18ClNO/c1-4-10(5-2)13(16)15-12-7-6-11(14)8-9(12)3/h6-8,10H,4-5H2,1-3H3,(H,15,16)
InChIKeyQQHSGJYSIVJEBE-UHFFFAOYSA-N
XLogP4.02
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(aminomethyl)-N-(4-chloro-2-methylphenyl)pentanamide
CID 65225535
N-(4-chloro-2-methylphenyl)-2-cyanobutanamide
CID 55207021
N-(4-chloro-2-methylphenyl)-2,2-difluoroacetamide
CID 103605147
(2R)-N-(4-chloro-2-methylphenyl)-2-(4-chlorophenyl)sulfanylbutanamide
CID 38020183
4-(2-ethylbutanoylamino)-3-methylbenzenesulfonic acid
CID 72947233
(2R)-N-(4-chloro-2-methylphenyl)-2-(3-chlorophenoxy)butanamide
CID 28632431
(2R)-N-(4-chloro-2-methylphenyl)-2-phenoxybutanamide
CID 894853
2-ethyl-N-(2-methyl-4-sulfamoylphenyl)butanamide
CID 43246558
2-(4-chloro-3-methylphenoxy)-N-(4-chloro-2-methylphenyl)butanamide
CID 132653122
1-(4-chloro-2-methylphenyl)-3-propan-2-ylurea
CID 5199743
N'-butan-2-yl-N-(4-chloro-2-methylphenyl)propanediamide
CID 108941850
3-(4-chloro-2-methylphenyl)-1,1-dimethylurea
CID 551912

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)-2-ethylbutanamide?
The IUPAC name of N-(4-chloro-2-methylphenyl)-2-ethylbutanamide (CID 882107) is N-(4-chloro-2-methylphenyl)-2-ethylbutanamide.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)-2-ethylbutanamide?
The canonical SMILES for N-(4-chloro-2-methylphenyl)-2-ethylbutanamide is CCC(CC)C(=O)Nc1ccc(Cl)cc1C.
What is the InChIKey of N-(4-chloro-2-methylphenyl)-2-ethylbutanamide?
The InChIKey is QQHSGJYSIVJEBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO/c1-4-10(5-2)13(16)15-12-7-6-11(14)8-9(12)3/h6-8,10H,4-5H2,1-3H3,(H,15,16).
What are the key properties of N-(4-chloro-2-methylphenyl)-2-ethylbutanamide?
N-(4-chloro-2-methylphenyl)-2-ethylbutanamide has a molecular weight of 239.75 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methylphenyl)-2-ethylbutanamide is sourced from PubChem (CID 882107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).