2-acetamido-N-(4-bromo-2-methylphenyl)propanamide

C12H15BrN2O2 — CID 78768995

IUPAC2-acetamido-N-(4-bromo-2-methylphenyl)propanamide
SMILESCC(=O)NC(C)C(=O)Nc1ccc(Br)cc1C
InChIInChI=1S/C12H15BrN2O2/c1-7-6-10(13)4-5-11(7)15-12(17)8(2)14-9(3)16/h4-6,8H,1-3H3,(H,14,16)(H,15,17)
InChIKeyHNXODNLPXZVMKG-UHFFFAOYSA-N
MW299.17 g/mol
LogP2.22
Rot. Bonds3

About 2-acetamido-N-(4-bromo-2-methylphenyl)propanamide

2-acetamido-N-(4-bromo-2-methylphenyl)propanamide (PubChem CID 78768995) has the molecular formula C12H15BrN2O2 and a molecular weight of 299.17 g/mol. Its IUPAC name is 2-acetamido-N-(4-bromo-2-methylphenyl)propanamide.

Molecular Properties

Compound Name2-acetamido-N-(4-bromo-2-methylphenyl)propanamide
PubChem CID78768995
Molecular FormulaC12H15BrN2O2
Molecular Weight299.17 g/mol
Exact Mass298.03
IUPAC Name2-acetamido-N-(4-bromo-2-methylphenyl)propanamide
SMILESCC(=O)NC(C)C(=O)Nc1ccc(Br)cc1C
InChIInChI=1S/C12H15BrN2O2/c1-7-6-10(13)4-5-11(7)15-12(17)8(2)14-9(3)16/h4-6,8H,1-3H3,(H,14,16)(H,15,17)
InChIKeyHNXODNLPXZVMKG-UHFFFAOYSA-N
XLogP2.22
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.17
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-acetamido-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-methylbutanamide
CID 26008291
(2R)-N-(4-bromo-2-methylphenyl)-2-methylpentanamide
CID 884269
N-(4-bromo-2-methylphenyl)-2-methylbutanediamide
CID 82124667
2-[(4-bromo-2-methylphenyl)carbamoyl]butanoic acid
CID 56986865
2-(4-bromo-2-methylanilino)-N-phenylpropanamide
CID 43084058
4-bromo-N-(4-bromo-2-methylphenyl)-2-methylbenzamide
CID 43629933
N-(4-bromo-2-methylphenyl)-2-(4-chloro-3,5-dimethylphenoxy)propanamide
CID 19228929
(2S)-N-(4-bromo-2-methylphenyl)-2-(4-tert-butylphenoxy)propanamide
CID 7036907
1-(4-bromo-2-methylphenyl)-3-(2-methylphenyl)urea
CID 108894214
(2R)-2-amino-N-(4-bromo-2-methylphenyl)pentanamide
CID 103793966
1-(4-bromo-2-methylphenyl)-3-(4-propan-2-ylphenyl)urea
CID 108991649
1-(4-bromo-2-methylphenyl)-3-(1-hydroxy-4-methylpentan-3-yl)urea
CID 111473320

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-(4-bromo-2-methylphenyl)propanamide?
The IUPAC name of 2-acetamido-N-(4-bromo-2-methylphenyl)propanamide (CID 78768995) is 2-acetamido-N-(4-bromo-2-methylphenyl)propanamide.
What is the SMILES notation for 2-acetamido-N-(4-bromo-2-methylphenyl)propanamide?
The canonical SMILES for 2-acetamido-N-(4-bromo-2-methylphenyl)propanamide is CC(=O)NC(C)C(=O)Nc1ccc(Br)cc1C.
What is the InChIKey of 2-acetamido-N-(4-bromo-2-methylphenyl)propanamide?
The InChIKey is HNXODNLPXZVMKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O2/c1-7-6-10(13)4-5-11(7)15-12(17)8(2)14-9(3)16/h4-6,8H,1-3H3,(H,14,16)(H,15,17).
What are the key properties of 2-acetamido-N-(4-bromo-2-methylphenyl)propanamide?
2-acetamido-N-(4-bromo-2-methylphenyl)propanamide has a molecular weight of 299.17 g/mol, XLogP of 2.22, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-(4-bromo-2-methylphenyl)propanamide is sourced from PubChem (CID 78768995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).