N-(2,6-dichlorophenyl)-3-methylbutanamide

C11H13Cl2NO — CID 849070

IUPACN-(2,6-dichlorophenyl)-3-methylbutanamide
SMILESCC(C)CC(=O)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C11H13Cl2NO/c1-7(2)6-10(15)14-11-8(12)4-3-5-9(11)13/h3-5,7H,6H2,1-2H3,(H,14,15)
InChIKeyKWJOXCWVGQOQQI-UHFFFAOYSA-N
MW246.14 g/mol
LogP3.98
Rot. Bonds3

About N-(2,6-dichlorophenyl)-3-methylbutanamide

N-(2,6-dichlorophenyl)-3-methylbutanamide (PubChem CID 849070) has the molecular formula C11H13Cl2NO and a molecular weight of 246.14 g/mol. Its IUPAC name is N-(2,6-dichlorophenyl)-3-methylbutanamide.

Molecular Properties

Compound NameN-(2,6-dichlorophenyl)-3-methylbutanamide
PubChem CID849070
Molecular FormulaC11H13Cl2NO
Molecular Weight246.14 g/mol
Exact Mass245.04
IUPAC NameN-(2,6-dichlorophenyl)-3-methylbutanamide
SMILESCC(C)CC(=O)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C11H13Cl2NO/c1-7(2)6-10(15)14-11-8(12)4-3-5-9(11)13/h3-5,7H,6H2,1-2H3,(H,14,15)
InChIKeyKWJOXCWVGQOQQI-UHFFFAOYSA-N
XLogP3.98
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.14
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N,N'-bis(2,6-dichlorophenyl)butanediamide
CID 1010966
N-[5-(2,6-dichloroanilino)-2-pyridinyl]-3-methylbutanamide
CID 113036821
3-amino-N-(2-chloro-6-methylphenyl)butanamide;hydrochloride
CID 12546926
N-(2,6-dichlorophenyl)-2-sulfanylacetamide
CID 14567957
N,N'-bis(2,6-dichlorophenyl)pentanediamide
CID 1291740
3-methyl-N-[2,2,2-trichloro-1-(2,6-dichloroanilino)ethyl]butanamide
CID 4581510
N-(2,6-dichlorophenyl)-2-(dimethylamino)acetamide
CID 9255062
N-(2,6-dichlorophenyl)-2-[methyl-[2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl]amino]acetamide
CID 8559536
N-(2,6-dichlorophenyl)-2-[methyl-[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl]amino]acetamide
CID 8559545
N-(2,6-dichlorophenyl)-3-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanamide
CID 24589283
N-(2,6-dichlorophenyl)-2-[1-hydroxypropan-2-yl(methyl)amino]acetamide
CID 112706093
(2R)-2-[[3-(2,6-dichloroanilino)-3-oxopropyl]amino]propanoic acid
CID 83194749

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichlorophenyl)-3-methylbutanamide?
The IUPAC name of N-(2,6-dichlorophenyl)-3-methylbutanamide (CID 849070) is N-(2,6-dichlorophenyl)-3-methylbutanamide.
What is the SMILES notation for N-(2,6-dichlorophenyl)-3-methylbutanamide?
The canonical SMILES for N-(2,6-dichlorophenyl)-3-methylbutanamide is CC(C)CC(=O)Nc1c(Cl)cccc1Cl.
What is the InChIKey of N-(2,6-dichlorophenyl)-3-methylbutanamide?
The InChIKey is KWJOXCWVGQOQQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2NO/c1-7(2)6-10(15)14-11-8(12)4-3-5-9(11)13/h3-5,7H,6H2,1-2H3,(H,14,15).
What are the key properties of N-(2,6-dichlorophenyl)-3-methylbutanamide?
N-(2,6-dichlorophenyl)-3-methylbutanamide has a molecular weight of 246.14 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichlorophenyl)-3-methylbutanamide is sourced from PubChem (CID 849070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).