N-(2,5-dichlorophenyl)-2,2-dimethylbutanamide

C12H15Cl2NO — CID 4629651

IUPACN-(2,5-dichlorophenyl)-2,2-dimethylbutanamide
SMILESCCC(C)(C)C(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C12H15Cl2NO/c1-4-12(2,3)11(16)15-10-7-8(13)5-6-9(10)14/h5-7H,4H2,1-3H3,(H,15,16)
InChIKeyYPAWIVLTTPXGEI-UHFFFAOYSA-N
MW260.16 g/mol
LogP4.37
Rot. Bonds3

About N-(2,5-dichlorophenyl)-2,2-dimethylbutanamide

N-(2,5-dichlorophenyl)-2,2-dimethylbutanamide (PubChem CID 4629651) has the molecular formula C12H15Cl2NO and a molecular weight of 260.16 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-2,2-dimethylbutanamide.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-2,2-dimethylbutanamide
PubChem CID4629651
Molecular FormulaC12H15Cl2NO
Molecular Weight260.16 g/mol
Exact Mass259.05
IUPAC NameN-(2,5-dichlorophenyl)-2,2-dimethylbutanamide
SMILESCCC(C)(C)C(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C12H15Cl2NO/c1-4-12(2,3)11(16)15-10-7-8(13)5-6-9(10)14/h5-7H,4H2,1-3H3,(H,15,16)
InChIKeyYPAWIVLTTPXGEI-UHFFFAOYSA-N
XLogP4.37
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
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-(5-chloro-2-cyanophenyl)-2,2-dimethylbutanamide
CID 64919411
N-(2,5-dichlorophenyl)-2-methyl-2-(methylamino)propanamide
CID 62834105
N-(2-carbamothioyl-5-chlorophenyl)-2,2-dimethylbutanamide
CID 64915596
N-butan-2-yl-N'-(2,5-dichlorophenyl)-2,2-dimethylpropanediamide
CID 108958327
tert-butyl N-(2,5-dichlorophenyl)carbamate
CID 4935502
N-(2,5-dichlorophenyl)-2,2-dimethyl-N'-pentylpropanediamide
CID 108966461
N-(4-chlorophenyl)-2,2-dimethylbutanamide
CID 842553
1-(2,5-dichlorophenyl)-2,2-dimethylbutan-1-one
CID 24724057
N-(2,5-dichlorophenyl)-N'-[2-(dimethylamino)ethyl]-2,2-dimethylpropanediamide
CID 108960336
N-[2-(3-aminoprop-1-ynyl)-4-chlorophenyl]-2,2-dimethylbutanamide
CID 81271509
(2-amino-2-ethylbutyl) N-(2,5-dichlorophenyl)carbamate
CID 79337552
N-(4-acetylphenyl)-N'-(2,5-dichlorophenyl)-2,2-dimethylpropanediamide
CID 108969771

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-2,2-dimethylbutanamide?
The IUPAC name of N-(2,5-dichlorophenyl)-2,2-dimethylbutanamide (CID 4629651) is N-(2,5-dichlorophenyl)-2,2-dimethylbutanamide.
What is the SMILES notation for N-(2,5-dichlorophenyl)-2,2-dimethylbutanamide?
The canonical SMILES for N-(2,5-dichlorophenyl)-2,2-dimethylbutanamide is CCC(C)(C)C(=O)Nc1cc(Cl)ccc1Cl.
What is the InChIKey of N-(2,5-dichlorophenyl)-2,2-dimethylbutanamide?
The InChIKey is YPAWIVLTTPXGEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2NO/c1-4-12(2,3)11(16)15-10-7-8(13)5-6-9(10)14/h5-7H,4H2,1-3H3,(H,15,16).
What are the key properties of N-(2,5-dichlorophenyl)-2,2-dimethylbutanamide?
N-(2,5-dichlorophenyl)-2,2-dimethylbutanamide has a molecular weight of 260.16 g/mol, XLogP of 4.37, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichlorophenyl)-2,2-dimethylbutanamide is sourced from PubChem (CID 4629651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).