N-(2,4-dichlorophenyl)-3,3-dimethylbutanamide

C12H15Cl2NO — CID 884679

IUPACN-(2,4-dichlorophenyl)-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C12H15Cl2NO/c1-12(2,3)7-11(16)15-10-5-4-8(13)6-9(10)14/h4-6H,7H2,1-3H3,(H,15,16)
InChIKeyHSEOEJHIRIOVRA-UHFFFAOYSA-N
MW260.16 g/mol
LogP4.37
Rot. Bonds2

About N-(2,4-dichlorophenyl)-3,3-dimethylbutanamide

N-(2,4-dichlorophenyl)-3,3-dimethylbutanamide (PubChem CID 884679) has the molecular formula C12H15Cl2NO and a molecular weight of 260.16 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-3,3-dimethylbutanamide
PubChem CID884679
Molecular FormulaC12H15Cl2NO
Molecular Weight260.16 g/mol
Exact Mass259.05
IUPAC NameN-(2,4-dichlorophenyl)-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C12H15Cl2NO/c1-12(2,3)7-11(16)15-10-5-4-8(13)6-9(10)14/h4-6H,7H2,1-3H3,(H,15,16)
InChIKeyHSEOEJHIRIOVRA-UHFFFAOYSA-N
XLogP4.37
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.16
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-amino-4-chlorophenyl)-3,3-dimethylbutanamide
CID 16781358
N-[4-[2-(2,4-dichloroanilino)-2-oxoethyl]sulfanylphenyl]-3,3-dimethylbutanamide
CID 22778282
5-(2,4-dichloroanilino)-3,3-dimethyl-5-oxopentanoate
CID 4744778
CID 71129145
CID 71129145
N-(2,4-dichlorophenyl)propanamide
CID 923083
N-(2-amino-5-chlorophenyl)-3,3-dimethylbutanamide
CID 16794866
2-(2,4-dichloroanilino)-N-(2,4-dichlorophenyl)acetamide
CID 54811499
N,N'-bis(2,4-dichlorophenyl)-2,2-dimethylpentanediamide
CID 6610958
N-(4-chloro-2-methylphenyl)-N'-(2,4-dichlorophenyl)propanediamide
CID 108955225
N-(2,4-dichlorophenyl)-2-methoxyacetamide
CID 885676
N-(2,4-dichlorophenyl)-4-[2-(2,2-dimethylpropanoyl)hydrazinyl]-4-oxobutanamide
CID 4927502
2,2-dichloro-N-(2,4-dichlorophenyl)propanamide
CID 521736

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-3,3-dimethylbutanamide?
The IUPAC name of N-(2,4-dichlorophenyl)-3,3-dimethylbutanamide (CID 884679) is N-(2,4-dichlorophenyl)-3,3-dimethylbutanamide.
What is the SMILES notation for N-(2,4-dichlorophenyl)-3,3-dimethylbutanamide?
The canonical SMILES for N-(2,4-dichlorophenyl)-3,3-dimethylbutanamide is CC(C)(C)CC(=O)Nc1ccc(Cl)cc1Cl.
What is the InChIKey of N-(2,4-dichlorophenyl)-3,3-dimethylbutanamide?
The InChIKey is HSEOEJHIRIOVRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2NO/c1-12(2,3)7-11(16)15-10-5-4-8(13)6-9(10)14/h4-6H,7H2,1-3H3,(H,15,16).
What are the key properties of N-(2,4-dichlorophenyl)-3,3-dimethylbutanamide?
N-(2,4-dichlorophenyl)-3,3-dimethylbutanamide has a molecular weight of 260.16 g/mol, XLogP of 4.37, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichlorophenyl)-3,3-dimethylbutanamide is sourced from PubChem (CID 884679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).