N-(4-bromo-2,2-dimethylbutyl)-2-(3-chlorophenyl)acetamide

C14H19BrClNO — CID 106143575

IUPACN-(4-bromo-2,2-dimethylbutyl)-2-(3-chlorophenyl)acetamide
SMILESCC(C)(CCBr)CNC(=O)Cc1cccc(Cl)c1
InChIInChI=1S/C14H19BrClNO/c1-14(2,6-7-15)10-17-13(18)9-11-4-3-5-12(16)8-11/h3-5,8H,6-7,9-10H2,1-2H3,(H,17,18)
InChIKeyMWPHQFYNIGREMI-UHFFFAOYSA-N
MW332.67 g/mol
LogP3.81
Rot. Bonds6

About N-(4-bromo-2,2-dimethylbutyl)-2-(3-chlorophenyl)acetamide

N-(4-bromo-2,2-dimethylbutyl)-2-(3-chlorophenyl)acetamide (PubChem CID 106143575) has the molecular formula C14H19BrClNO and a molecular weight of 332.67 g/mol. Its IUPAC name is N-(4-bromo-2,2-dimethylbutyl)-2-(3-chlorophenyl)acetamide.

Molecular Properties

Compound NameN-(4-bromo-2,2-dimethylbutyl)-2-(3-chlorophenyl)acetamide
PubChem CID106143575
Molecular FormulaC14H19BrClNO
Molecular Weight332.67 g/mol
Exact Mass331.03
IUPAC NameN-(4-bromo-2,2-dimethylbutyl)-2-(3-chlorophenyl)acetamide
SMILESCC(C)(CCBr)CNC(=O)Cc1cccc(Cl)c1
InChIInChI=1S/C14H19BrClNO/c1-14(2,6-7-15)10-17-13(18)9-11-4-3-5-12(16)8-11/h3-5,8H,6-7,9-10H2,1-2H3,(H,17,18)
InChIKeyMWPHQFYNIGREMI-UHFFFAOYSA-N
XLogP3.81
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.67
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(4-bromo-2,2-dimethylbutyl)-2-(3-methylphenyl)acetamide
CID 114149387
N-(4-bromo-2,2-dimethylbutyl)-3-chlorobenzamide
CID 106143855
2-(3-chlorophenyl)-N-(2-hydroxy-2,4-dimethylpentyl)acetamide
CID 66178729
N-(4-bromo-2,2-dimethylbutyl)-3-(3-methylphenyl)propanamide
CID 114149455
N-(4-hydroxy-2,2-dimethylbutyl)-2-(3-methylphenyl)acetamide
CID 103772365
N-(4-bromo-2,2-dimethylbutyl)-2-(4-methoxyphenyl)acetamide
CID 114149390
2-amino-N-[3-(3-chlorophenyl)-2,2-dimethylpropyl]acetamide
CID 119339868
2-(3-bromophenyl)-N-[2-(4-chlorophenyl)-2-methylpropyl]acetamide
CID 113090395
N-(5-hydroxy-2,2-dimethylpentyl)-2-(3-methylphenyl)acetamide
CID 103899612
2-(3-chlorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)acetamide
CID 62504626
1-(3-chlorophenyl)-3,3-dimethylbutan-2-one
CID 59128725
N-(4-hydroxy-2,2-dimethylbutyl)-2-(3-methoxyphenyl)acetamide
CID 103772274

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2,2-dimethylbutyl)-2-(3-chlorophenyl)acetamide?
The IUPAC name of N-(4-bromo-2,2-dimethylbutyl)-2-(3-chlorophenyl)acetamide (CID 106143575) is N-(4-bromo-2,2-dimethylbutyl)-2-(3-chlorophenyl)acetamide.
What is the SMILES notation for N-(4-bromo-2,2-dimethylbutyl)-2-(3-chlorophenyl)acetamide?
The canonical SMILES for N-(4-bromo-2,2-dimethylbutyl)-2-(3-chlorophenyl)acetamide is CC(C)(CCBr)CNC(=O)Cc1cccc(Cl)c1.
What is the InChIKey of N-(4-bromo-2,2-dimethylbutyl)-2-(3-chlorophenyl)acetamide?
The InChIKey is MWPHQFYNIGREMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrClNO/c1-14(2,6-7-15)10-17-13(18)9-11-4-3-5-12(16)8-11/h3-5,8H,6-7,9-10H2,1-2H3,(H,17,18).
What are the key properties of N-(4-bromo-2,2-dimethylbutyl)-2-(3-chlorophenyl)acetamide?
N-(4-bromo-2,2-dimethylbutyl)-2-(3-chlorophenyl)acetamide has a molecular weight of 332.67 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2,2-dimethylbutyl)-2-(3-chlorophenyl)acetamide is sourced from PubChem (CID 106143575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).