N-(2-acetyl-4-bromophenyl)-2,2-dimethylpropanamide

C13H16BrNO2 — CID 11289508

IUPACN-(2-acetyl-4-bromophenyl)-2,2-dimethylpropanamide
SMILESCC(=O)c1cc(Br)ccc1NC(=O)C(C)(C)C
InChIInChI=1S/C13H16BrNO2/c1-8(16)10-7-9(14)5-6-11(10)15-12(17)13(2,3)4/h5-7H,1-4H3,(H,15,17)
InChIKeyHFVSMLUYTTYTRP-UHFFFAOYSA-N
MW298.18 g/mol
LogP3.64
Rot. Bonds2

About N-(2-acetyl-4-bromophenyl)-2,2-dimethylpropanamide

N-(2-acetyl-4-bromophenyl)-2,2-dimethylpropanamide (PubChem CID 11289508) has the molecular formula C13H16BrNO2 and a molecular weight of 298.18 g/mol. Its IUPAC name is N-(2-acetyl-4-bromophenyl)-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(2-acetyl-4-bromophenyl)-2,2-dimethylpropanamide
PubChem CID11289508
Molecular FormulaC13H16BrNO2
Molecular Weight298.18 g/mol
Exact Mass297.04
IUPAC NameN-(2-acetyl-4-bromophenyl)-2,2-dimethylpropanamide
SMILESCC(=O)c1cc(Br)ccc1NC(=O)C(C)(C)C
InChIInChI=1S/C13H16BrNO2/c1-8(16)10-7-9(14)5-6-11(10)15-12(17)13(2,3)4/h5-7H,1-4H3,(H,15,17)
InChIKeyHFVSMLUYTTYTRP-UHFFFAOYSA-N
XLogP3.64
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.18
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-bromo-2-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-2,2-dimethylpropanamide
CID 82704318
N-(5-bromo-2-fluorophenyl)-2,2-dimethylpropanamide
CID 63939054
N-(2-acetyl-4-bromophenyl)oxolane-2-carboxamide
CID 75503576
N-(4-bromo-2-cyclooctylphenyl)-2,2-dimethylpropanamide
CID 143191050
N-(6-bromonaphthalen-2-yl)-2,2-dimethylpropanamide
CID 81260371
5-(dimethylamino)-2-(2,2-dimethylpropanoylamino)benzoic acid
CID 50782899
5-bromo-2-(carbamoylamino)benzoic acid
CID 54593537
N-(4-bromo-2-fluorophenyl)-2-fluoro-2-methylpropanamide
CID 130165280
ethyl 5-bromo-2-[(2,2,2-trifluoroacetyl)amino]benzoate
CID 10065821
N-(4-bromo-2-methylphenyl)-4-(2,2-dimethylpropanoylamino)benzamide
CID 1370379
5-bromo-2-(ethylamino)benzoic acid
CID 12925315
N-(2-fluoro-4-hydroxyphenyl)-2,2-dimethylpropanamide
CID 64795167

Frequently Asked Questions

What is the IUPAC name of N-(2-acetyl-4-bromophenyl)-2,2-dimethylpropanamide?
The IUPAC name of N-(2-acetyl-4-bromophenyl)-2,2-dimethylpropanamide (CID 11289508) is N-(2-acetyl-4-bromophenyl)-2,2-dimethylpropanamide.
What is the SMILES notation for N-(2-acetyl-4-bromophenyl)-2,2-dimethylpropanamide?
The canonical SMILES for N-(2-acetyl-4-bromophenyl)-2,2-dimethylpropanamide is CC(=O)c1cc(Br)ccc1NC(=O)C(C)(C)C.
What is the InChIKey of N-(2-acetyl-4-bromophenyl)-2,2-dimethylpropanamide?
The InChIKey is HFVSMLUYTTYTRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrNO2/c1-8(16)10-7-9(14)5-6-11(10)15-12(17)13(2,3)4/h5-7H,1-4H3,(H,15,17).
What are the key properties of N-(2-acetyl-4-bromophenyl)-2,2-dimethylpropanamide?
N-(2-acetyl-4-bromophenyl)-2,2-dimethylpropanamide has a molecular weight of 298.18 g/mol, XLogP of 3.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetyl-4-bromophenyl)-2,2-dimethylpropanamide is sourced from PubChem (CID 11289508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).