N-(3-bromophenyl)-2,2-dimethylbutanamide

C12H16BrNO — CID 670009

IUPACN-(3-bromophenyl)-2,2-dimethylbutanamide
SMILESCCC(C)(C)C(=O)Nc1cccc(Br)c1
InChIInChI=1S/C12H16BrNO/c1-4-12(2,3)11(15)14-10-7-5-6-9(13)8-10/h5-8H,4H2,1-3H3,(H,14,15)
InChIKeyVQUYFATVWVWFBC-UHFFFAOYSA-N
MW270.17 g/mol
LogP3.82
Rot. Bonds3

About N-(3-bromophenyl)-2,2-dimethylbutanamide

N-(3-bromophenyl)-2,2-dimethylbutanamide (PubChem CID 670009) has the molecular formula C12H16BrNO and a molecular weight of 270.17 g/mol. Its IUPAC name is N-(3-bromophenyl)-2,2-dimethylbutanamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-2,2-dimethylbutanamide
PubChem CID670009
Molecular FormulaC12H16BrNO
Molecular Weight270.17 g/mol
Exact Mass269.04
IUPAC NameN-(3-bromophenyl)-2,2-dimethylbutanamide
SMILESCCC(C)(C)C(=O)Nc1cccc(Br)c1
InChIInChI=1S/C12H16BrNO/c1-4-12(2,3)11(15)14-10-7-5-6-9(13)8-10/h5-8H,4H2,1-3H3,(H,14,15)
InChIKeyVQUYFATVWVWFBC-UHFFFAOYSA-N
XLogP3.82
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.17
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,2-dimethyl-N-(3-methylphenyl)butanamide
CID 669985
2-amino-N-(3-bromophenyl)-2-methylpentanamide
CID 60847337
2,2-dimethyl-N-[3-(trifluoromethyl)phenyl]butanamide
CID 669889
N-[3-(ethylaminomethyl)phenyl]-2,2-dimethylbutanamide
CID 55102725
N-(3-bromophenyl)-N'-(3,5-dimethylphenyl)-2,2-dimethylpropanediamide
CID 108968044
2,2-dimethyl-N-[3-[(2-phenylacetyl)amino]phenyl]butanamide
CID 160938577
N-(3-bromophenyl)-3,3-dimethylbutanamide
CID 842233
methyl 3-(2,2-dimethylbutanoylamino)benzenesulfonate
CID 59464563
2-[3-(2,2-dimethylbutanoylamino)phenoxy]acetic acid
CID 62678206
N-(4-bromo-2-methylphenyl)-2,2-dimethylbutanamide
CID 4634905
N-(3-bromophenyl)-N'-(2,6-diethylphenyl)oxamide
CID 108511493
N-(3-bromophenyl)-N'-(2,4,4-trimethylpentan-2-yl)oxamide
CID 108526239

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-2,2-dimethylbutanamide?
The IUPAC name of N-(3-bromophenyl)-2,2-dimethylbutanamide (CID 670009) is N-(3-bromophenyl)-2,2-dimethylbutanamide.
What is the SMILES notation for N-(3-bromophenyl)-2,2-dimethylbutanamide?
The canonical SMILES for N-(3-bromophenyl)-2,2-dimethylbutanamide is CCC(C)(C)C(=O)Nc1cccc(Br)c1.
What is the InChIKey of N-(3-bromophenyl)-2,2-dimethylbutanamide?
The InChIKey is VQUYFATVWVWFBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO/c1-4-12(2,3)11(15)14-10-7-5-6-9(13)8-10/h5-8H,4H2,1-3H3,(H,14,15).
What are the key properties of N-(3-bromophenyl)-2,2-dimethylbutanamide?
N-(3-bromophenyl)-2,2-dimethylbutanamide has a molecular weight of 270.17 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-2,2-dimethylbutanamide is sourced from PubChem (CID 670009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).