2-(N-acetyl-2-bromoanilino)-N-(3-methylbutyl)acetamide

C15H21BrN2O2 — CID 113177811

IUPAC2-(N-acetyl-2-bromoanilino)-N-(3-methylbutyl)acetamide
SMILESCC(=O)N(CC(=O)NCCC(C)C)c1ccccc1Br
InChIInChI=1S/C15H21BrN2O2/c1-11(2)8-9-17-15(20)10-18(12(3)19)14-7-5-4-6-13(14)16/h4-7,11H,8-10H2,1-3H3,(H,17,20)
InChIKeyCZADSJOCWIWYFP-UHFFFAOYSA-N
MW341.25 g/mol
LogP2.96
Rot. Bonds6

About 2-(N-acetyl-2-bromoanilino)-N-(3-methylbutyl)acetamide

2-(N-acetyl-2-bromoanilino)-N-(3-methylbutyl)acetamide (PubChem CID 113177811) has the molecular formula C15H21BrN2O2 and a molecular weight of 341.25 g/mol. Its IUPAC name is 2-(N-acetyl-2-bromoanilino)-N-(3-methylbutyl)acetamide.

Molecular Properties

Compound Name2-(N-acetyl-2-bromoanilino)-N-(3-methylbutyl)acetamide
PubChem CID113177811
Molecular FormulaC15H21BrN2O2
Molecular Weight341.25 g/mol
Exact Mass340.08
IUPAC Name2-(N-acetyl-2-bromoanilino)-N-(3-methylbutyl)acetamide
SMILESCC(=O)N(CC(=O)NCCC(C)C)c1ccccc1Br
InChIInChI=1S/C15H21BrN2O2/c1-11(2)8-9-17-15(20)10-18(12(3)19)14-7-5-4-6-13(14)16/h4-7,11H,8-10H2,1-3H3,(H,17,20)
InChIKeyCZADSJOCWIWYFP-UHFFFAOYSA-N
XLogP2.96
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.25
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(N-acetyl-2-bromoanilino)-N-(3-methylbutyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(N-acetyl-2-ethylanilino)-N-(3-methylbutyl)acetamide
CID 113169089
methyl 2-[acetyl-[2-(3-methylbutylamino)-2-oxoethyl]amino]benzoate
CID 113176098
2-(N-acetyl-2,3,4-trifluoroanilino)-N-(3-methylbutyl)acetamide
CID 113181280
2-(N-acetyl-2-bromoanilino)-N-(pyridin-4-ylmethyl)acetamide
CID 113177799
N-[2-(N-acetyl-2-bromoanilino)ethyl]-2-methylpropanamide
CID 113062718
2-(N-acetyl-5-chloro-2-methoxyanilino)-N-(3-methylbutyl)acetamide
CID 113172837
2-(N-acetyl-2-chloroanilino)-N-(2-methylpropyl)acetamide
CID 113171103
2-(N-acetyl-2-bromoanilino)-N-(2-methylphenyl)acetamide
CID 113177819
3-(N-acetyl-2-propan-2-ylanilino)-N-(3-methylbutyl)propanamide
CID 113125720
3-(N-acetyl-2-propan-2-yloxyanilino)-N-(3-methylbutyl)propanamide
CID 113129740
2-(N-acetyl-2-bromo-4-methylanilino)-N-propylacetamide
CID 113177979
2-(N-acetyl-2-methoxyanilino)-N-(2-methylpropyl)acetamide
CID 113173108

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-2-bromoanilino)-N-(3-methylbutyl)acetamide?
The IUPAC name of 2-(N-acetyl-2-bromoanilino)-N-(3-methylbutyl)acetamide (CID 113177811) is 2-(N-acetyl-2-bromoanilino)-N-(3-methylbutyl)acetamide.
What is the SMILES notation for 2-(N-acetyl-2-bromoanilino)-N-(3-methylbutyl)acetamide?
The canonical SMILES for 2-(N-acetyl-2-bromoanilino)-N-(3-methylbutyl)acetamide is CC(=O)N(CC(=O)NCCC(C)C)c1ccccc1Br.
What is the InChIKey of 2-(N-acetyl-2-bromoanilino)-N-(3-methylbutyl)acetamide?
The InChIKey is CZADSJOCWIWYFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O2/c1-11(2)8-9-17-15(20)10-18(12(3)19)14-7-5-4-6-13(14)16/h4-7,11H,8-10H2,1-3H3,(H,17,20).
What are the key properties of 2-(N-acetyl-2-bromoanilino)-N-(3-methylbutyl)acetamide?
2-(N-acetyl-2-bromoanilino)-N-(3-methylbutyl)acetamide has a molecular weight of 341.25 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-2-bromoanilino)-N-(3-methylbutyl)acetamide is sourced from PubChem (CID 113177811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).