2-acetamido-N-(4-bromophenyl)-3-methylbutanamide

C13H17BrN2O2 — CID 17391080

IUPAC2-acetamido-N-(4-bromophenyl)-3-methylbutanamide
SMILESCC(=O)NC(C(=O)Nc1ccc(Br)cc1)C(C)C
InChIInChI=1S/C13H17BrN2O2/c1-8(2)12(15-9(3)17)13(18)16-11-6-4-10(14)5-7-11/h4-8,12H,1-3H3,(H,15,17)(H,16,18)
InChIKeyGYNCFDMIARBTKO-UHFFFAOYSA-N
MW313.19 g/mol
LogP2.55
Rot. Bonds4

About 2-acetamido-N-(4-bromophenyl)-3-methylbutanamide

2-acetamido-N-(4-bromophenyl)-3-methylbutanamide (PubChem CID 17391080) has the molecular formula C13H17BrN2O2 and a molecular weight of 313.19 g/mol. Its IUPAC name is 2-acetamido-N-(4-bromophenyl)-3-methylbutanamide.

Molecular Properties

Compound Name2-acetamido-N-(4-bromophenyl)-3-methylbutanamide
PubChem CID17391080
Molecular FormulaC13H17BrN2O2
Molecular Weight313.19 g/mol
Exact Mass312.05
IUPAC Name2-acetamido-N-(4-bromophenyl)-3-methylbutanamide
SMILESCC(=O)NC(C(=O)Nc1ccc(Br)cc1)C(C)C
InChIInChI=1S/C13H17BrN2O2/c1-8(2)12(15-9(3)17)13(18)16-11-6-4-10(14)5-7-11/h4-8,12H,1-3H3,(H,15,17)(H,16,18)
InChIKeyGYNCFDMIARBTKO-UHFFFAOYSA-N
XLogP2.55
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.19
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-acetamido-3-methyl-N-[4-(propan-2-ylsulfamoyl)phenyl]butanamide
CID 9219372
2-[(2-acetamido-3-methylbutanoyl)amino]-4-bromobenzoic acid
CID 60916925
(2R)-2-acetamido-3-methyl-N-(4-morpholin-4-ylphenyl)butanamide
CID 41236080
N-[(2S)-1-(4-bromoanilino)-3-methyl-1-oxobutan-2-yl]-4-chloro-2-hydroxybenzamide
CID 46862080
2-acetamido-N-(3-acetylphenyl)-3-methylbutanamide
CID 17424287
2-acetamido-3-methyl-N-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]butanamide
CID 102554949
2-benzamido-N-[(2R)-1-(4-bromoanilino)-3-methyl-1-oxobutan-2-yl]benzamide
CID 1340022
(2R)-N-(4-acetamidophenyl)-2-(4-bromophenoxy)propanamide
CID 7731961
2-acetamido-N-[4-(4-ethylpiperazin-1-yl)phenyl]-3-methylbutanamide
CID 46807379
(2R)-N-(4-bromophenyl)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanamide
CID 1274947
4-[(2-acetamido-3-methylbutanoyl)amino]-2-chlorobenzoic acid
CID 61398318
(2R)-2-acetamido-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-methylbutanamide
CID 26008291

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-(4-bromophenyl)-3-methylbutanamide?
The IUPAC name of 2-acetamido-N-(4-bromophenyl)-3-methylbutanamide (CID 17391080) is 2-acetamido-N-(4-bromophenyl)-3-methylbutanamide.
What is the SMILES notation for 2-acetamido-N-(4-bromophenyl)-3-methylbutanamide?
The canonical SMILES for 2-acetamido-N-(4-bromophenyl)-3-methylbutanamide is CC(=O)NC(C(=O)Nc1ccc(Br)cc1)C(C)C.
What is the InChIKey of 2-acetamido-N-(4-bromophenyl)-3-methylbutanamide?
The InChIKey is GYNCFDMIARBTKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O2/c1-8(2)12(15-9(3)17)13(18)16-11-6-4-10(14)5-7-11/h4-8,12H,1-3H3,(H,15,17)(H,16,18).
What are the key properties of 2-acetamido-N-(4-bromophenyl)-3-methylbutanamide?
2-acetamido-N-(4-bromophenyl)-3-methylbutanamide has a molecular weight of 313.19 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-(4-bromophenyl)-3-methylbutanamide is sourced from PubChem (CID 17391080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).