2-[[(2-bromo-4-fluorobenzoyl)amino]methyl]-4,4-dimethylpentanoic acid

C15H19BrFNO3 — CID 107473735

IUPAC2-[[(2-bromo-4-fluorobenzoyl)amino]methyl]-4,4-dimethylpentanoic acid
SMILESCC(C)(C)CC(CNC(=O)c1ccc(F)cc1Br)C(=O)O
InChIInChI=1S/C15H19BrFNO3/c1-15(2,3)7-9(14(20)21)8-18-13(19)11-5-4-10(17)6-12(11)16/h4-6,9H,7-8H2,1-3H3,(H,18,19)(H,20,21)
InChIKeySLNLQZZTJFWMAB-UHFFFAOYSA-N
MW360.22 g/mol
LogP3.45
Rot. Bonds5

About 2-[[(2-bromo-4-fluorobenzoyl)amino]methyl]-4,4-dimethylpentanoic acid

2-[[(2-bromo-4-fluorobenzoyl)amino]methyl]-4,4-dimethylpentanoic acid (PubChem CID 107473735) has the molecular formula C15H19BrFNO3 and a molecular weight of 360.22 g/mol. Its IUPAC name is 2-[[(2-bromo-4-fluorobenzoyl)amino]methyl]-4,4-dimethylpentanoic acid.

Molecular Properties

Compound Name2-[[(2-bromo-4-fluorobenzoyl)amino]methyl]-4,4-dimethylpentanoic acid
PubChem CID107473735
Molecular FormulaC15H19BrFNO3
Molecular Weight360.22 g/mol
Exact Mass359.05
IUPAC Name2-[[(2-bromo-4-fluorobenzoyl)amino]methyl]-4,4-dimethylpentanoic acid
SMILESCC(C)(C)CC(CNC(=O)c1ccc(F)cc1Br)C(=O)O
InChIInChI=1S/C15H19BrFNO3/c1-15(2,3)7-9(14(20)21)8-18-13(19)11-5-4-10(17)6-12(11)16/h4-6,9H,7-8H2,1-3H3,(H,18,19)(H,20,21)
InChIKeySLNLQZZTJFWMAB-UHFFFAOYSA-N
XLogP3.45
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.22
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[[(2-bromo-4-fluorobenzoyl)amino]methyl]-4,4-dimethylpentanoic acid 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

3-[(2-bromo-4-fluorobenzoyl)amino]-2-methylpropanoic acid
CID 62675482
2-bromo-4-fluoro-N-(2,3,3-trimethylbutyl)benzamide
CID 78965919
2-bromo-N-(3,3-dimethylbutyl)-4-fluorobenzamide
CID 115580238
4-[(2-bromo-4-fluorobenzoyl)amino]-3-methylbutanoic acid
CID 81064448
2-[[(2-bromo-5-fluorobenzoyl)amino]methyl]butanoic acid
CID 65218202
2-bromo-4-fluoro-N-(2-methylbutyl)benzamide
CID 62693317
2-[[(5-bromo-2-chlorobenzoyl)amino]methyl]-4,4-dimethylpentanoic acid
CID 107474107
2-bromo-N-(2,3-dihydroxypropyl)-4-fluorobenzamide
CID 66175984
2-bromo-4-fluoro-N-(2-phenylbutyl)benzamide
CID 55391050
(3S)-3-[[(2-bromo-4-fluorobenzoyl)amino]methyl]-5-methylhexanoic acid
CID 65493880
2-bromo-4-fluoro-N-[2-(2-methylpropanoylamino)ethyl]benzamide
CID 60666175
2-bromo-4-fluoro-N-(3-methylbutyl)benzamide
CID 24700389

Frequently Asked Questions

What is the IUPAC name of 2-[[(2-bromo-4-fluorobenzoyl)amino]methyl]-4,4-dimethylpentanoic acid?
The IUPAC name of 2-[[(2-bromo-4-fluorobenzoyl)amino]methyl]-4,4-dimethylpentanoic acid (CID 107473735) is 2-[[(2-bromo-4-fluorobenzoyl)amino]methyl]-4,4-dimethylpentanoic acid.
What is the SMILES notation for 2-[[(2-bromo-4-fluorobenzoyl)amino]methyl]-4,4-dimethylpentanoic acid?
The canonical SMILES for 2-[[(2-bromo-4-fluorobenzoyl)amino]methyl]-4,4-dimethylpentanoic acid is CC(C)(C)CC(CNC(=O)c1ccc(F)cc1Br)C(=O)O.
What is the InChIKey of 2-[[(2-bromo-4-fluorobenzoyl)amino]methyl]-4,4-dimethylpentanoic acid?
The InChIKey is SLNLQZZTJFWMAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrFNO3/c1-15(2,3)7-9(14(20)21)8-18-13(19)11-5-4-10(17)6-12(11)16/h4-6,9H,7-8H2,1-3H3,(H,18,19)(H,20,21).
What are the key properties of 2-[[(2-bromo-4-fluorobenzoyl)amino]methyl]-4,4-dimethylpentanoic acid?
2-[[(2-bromo-4-fluorobenzoyl)amino]methyl]-4,4-dimethylpentanoic acid has a molecular weight of 360.22 g/mol, XLogP of 3.45, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2-bromo-4-fluorobenzoyl)amino]methyl]-4,4-dimethylpentanoic acid is sourced from PubChem (CID 107473735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).