N-(4-chlorophenyl)-2,2-dimethylbutanamide

C12H16ClNO — CID 842553

IUPACN-(4-chlorophenyl)-2,2-dimethylbutanamide
SMILESCCC(C)(C)C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C12H16ClNO/c1-4-12(2,3)11(15)14-10-7-5-9(13)6-8-10/h5-8H,4H2,1-3H3,(H,14,15)
InChIKeyIUBXADUGJHNQPT-UHFFFAOYSA-N
MW225.72 g/mol
LogP3.71
Rot. Bonds3

About N-(4-chlorophenyl)-2,2-dimethylbutanamide

N-(4-chlorophenyl)-2,2-dimethylbutanamide (PubChem CID 842553) has the molecular formula C12H16ClNO and a molecular weight of 225.72 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2,2-dimethylbutanamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2,2-dimethylbutanamide
PubChem CID842553
Molecular FormulaC12H16ClNO
Molecular Weight225.72 g/mol
Exact Mass225.09
IUPAC NameN-(4-chlorophenyl)-2,2-dimethylbutanamide
SMILESCCC(C)(C)C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C12H16ClNO/c1-4-12(2,3)11(15)14-10-7-5-9(13)6-8-10/h5-8H,4H2,1-3H3,(H,14,15)
InChIKeyIUBXADUGJHNQPT-UHFFFAOYSA-N
XLogP3.71
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(4-chlorophenyl)carbamoyl]-2-ethylbutanoic acid
CID 24823612
N-(4-formylphenyl)-2,2-dimethylbutanamide
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2,2-dimethyl-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]butanamide
CID 177287967
N-(4-carbamothioylphenyl)-2,2-dimethylbutanamide
CID 55103346
3-(4-chloroanilino)-2,2-dimethyl-3-oxopropanoic acid
CID 10681593
N-(4-chlorophenyl)-3,3-dimethylpentanamide
CID 18712252
2-[4-(2,2-dimethylbutanoylamino)anilino]propanoic acid
CID 59104816
2,2-dimethyl-N-[4-(methylsulfamoyl)phenyl]butanamide
CID 59806865
N-[3-(aminomethyl)-4-fluorophenyl]-2,2-dimethylbutanamide
CID 62677434
2,2,2-tribromo-N-(4-chlorophenyl)acetamide
CID 10916515
N-(2,5-dichlorophenyl)-2,2-dimethylbutanamide
CID 4629651
2-(4-chlorophenyl)-2-methyl-N-phenylbutanamide
CID 132525792

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2,2-dimethylbutanamide?
The IUPAC name of N-(4-chlorophenyl)-2,2-dimethylbutanamide (CID 842553) is N-(4-chlorophenyl)-2,2-dimethylbutanamide.
What is the SMILES notation for N-(4-chlorophenyl)-2,2-dimethylbutanamide?
The canonical SMILES for N-(4-chlorophenyl)-2,2-dimethylbutanamide is CCC(C)(C)C(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2,2-dimethylbutanamide?
The InChIKey is IUBXADUGJHNQPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO/c1-4-12(2,3)11(15)14-10-7-5-9(13)6-8-10/h5-8H,4H2,1-3H3,(H,14,15).
What are the key properties of N-(4-chlorophenyl)-2,2-dimethylbutanamide?
N-(4-chlorophenyl)-2,2-dimethylbutanamide has a molecular weight of 225.72 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2,2-dimethylbutanamide is sourced from PubChem (CID 842553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).