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

C12H16BrNO — CID 842233

IUPACN-(3-bromophenyl)-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)Nc1cccc(Br)c1
InChIInChI=1S/C12H16BrNO/c1-12(2,3)8-11(15)14-10-6-4-5-9(13)7-10/h4-7H,8H2,1-3H3,(H,14,15)
InChIKeyNOJUBFZXVXNCTR-UHFFFAOYSA-N
MW270.17 g/mol
LogP3.82
Rot. Bonds2

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

N-(3-bromophenyl)-3,3-dimethylbutanamide (PubChem CID 842233) has the molecular formula C12H16BrNO and a molecular weight of 270.17 g/mol. Its IUPAC name is N-(3-bromophenyl)-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-3,3-dimethylbutanamide
PubChem CID842233
Molecular FormulaC12H16BrNO
Molecular Weight270.17 g/mol
Exact Mass269.04
IUPAC NameN-(3-bromophenyl)-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)Nc1cccc(Br)c1
InChIInChI=1S/C12H16BrNO/c1-12(2,3)8-11(15)14-10-6-4-5-9(13)7-10/h4-7H,8H2,1-3H3,(H,14,15)
InChIKeyNOJUBFZXVXNCTR-UHFFFAOYSA-N
XLogP3.82
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
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

N-(3-bromophenyl)-2-[(3-hydroxy-2,2-dimethylpropyl)amino]acetamide
CID 113293844
3,3-dimethyl-N-[3-(2-methylpropanoylamino)phenyl]butanamide
CID 39130919
N'-(3-bromophenyl)-N-phenylpropanediamide
CID 108952873
N-(3-cyanophenyl)-3,3-dimethylbutanamide
CID 803129
2-(4-bromoanilino)-N-(3-bromophenyl)acetamide
CID 7492464
N-(3-bromophenyl)-4-methyl-3-oxopentanamide
CID 134357858
N-(3-bromophenyl)-2,2-dimethylbutanamide
CID 670009
N-(3-bromophenyl)-2-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]acetamide
CID 107865329
N-(3-bromophenyl)-3-(4-tert-butylphenyl)propanamide
CID 19221197
N-(3-bromophenyl)-2-[(1-hydroxy-3-methylpentan-3-yl)amino]acetamide
CID 106175410
N-[2-(3-bromoanilino)-2-oxoethyl]propanamide
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N-(3-bromophenyl)-2-(diethylamino)acetamide
CID 975030

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-3,3-dimethylbutanamide?
The IUPAC name of N-(3-bromophenyl)-3,3-dimethylbutanamide (CID 842233) is N-(3-bromophenyl)-3,3-dimethylbutanamide.
What is the SMILES notation for N-(3-bromophenyl)-3,3-dimethylbutanamide?
The canonical SMILES for N-(3-bromophenyl)-3,3-dimethylbutanamide is CC(C)(C)CC(=O)Nc1cccc(Br)c1.
What is the InChIKey of N-(3-bromophenyl)-3,3-dimethylbutanamide?
The InChIKey is NOJUBFZXVXNCTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO/c1-12(2,3)8-11(15)14-10-6-4-5-9(13)7-10/h4-7H,8H2,1-3H3,(H,14,15).
What are the key properties of N-(3-bromophenyl)-3,3-dimethylbutanamide?
N-(3-bromophenyl)-3,3-dimethylbutanamide has a molecular weight of 270.17 g/mol, XLogP of 3.82, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-3,3-dimethylbutanamide is sourced from PubChem (CID 842233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).