6-[(2-bromo-4-fluorobenzoyl)amino]-2-methylheptanoic acid

C15H19BrFNO3 — CID 65285579

IUPAC6-[(2-bromo-4-fluorobenzoyl)amino]-2-methylheptanoic acid
SMILESCC(CCCC(C)C(=O)O)NC(=O)c1ccc(F)cc1Br
InChIInChI=1S/C15H19BrFNO3/c1-9(15(20)21)4-3-5-10(2)18-14(19)12-7-6-11(17)8-13(12)16/h6-10H,3-5H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyXCOPGALPRGAOGS-UHFFFAOYSA-N
MW360.22 g/mol
LogP3.60
Rot. Bonds7

About 6-[(2-bromo-4-fluorobenzoyl)amino]-2-methylheptanoic acid

6-[(2-bromo-4-fluorobenzoyl)amino]-2-methylheptanoic acid (PubChem CID 65285579) has the molecular formula C15H19BrFNO3 and a molecular weight of 360.22 g/mol. Its IUPAC name is 6-[(2-bromo-4-fluorobenzoyl)amino]-2-methylheptanoic acid.

Molecular Properties

Compound Name6-[(2-bromo-4-fluorobenzoyl)amino]-2-methylheptanoic acid
PubChem CID65285579
Molecular FormulaC15H19BrFNO3
Molecular Weight360.22 g/mol
Exact Mass359.05
IUPAC Name6-[(2-bromo-4-fluorobenzoyl)amino]-2-methylheptanoic acid
SMILESCC(CCCC(C)C(=O)O)NC(=O)c1ccc(F)cc1Br
InChIInChI=1S/C15H19BrFNO3/c1-9(15(20)21)4-3-5-10(2)18-14(19)12-7-6-11(17)8-13(12)16/h6-10H,3-5H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyXCOPGALPRGAOGS-UHFFFAOYSA-N
XLogP3.60
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.22
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 6-[(2-bromo-4-fluorobenzoyl)amino]-2-methylheptanoic 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

5-[(2-bromo-4-fluorobenzoyl)amino]hexanoic acid
CID 82854455
6-[(5-fluoro-2-hydroxybenzoyl)amino]-2-methylheptanoic acid
CID 115298555
2-[(2-bromo-4-fluorobenzoyl)amino]propanoic acid
CID 16778204
2-[(2-bromo-4-fluorobenzoyl)amino]pentanoic acid
CID 43630288
3-[(2-bromo-4-fluorobenzoyl)amino]-2-methylpropanoic acid
CID 62675482
6-[(2-fluorobenzoyl)amino]-2-methylheptanoic acid
CID 65286202
2-bromo-4-fluoro-N-(1-phenylethyl)benzamide
CID 24708890
6-[(4-chloro-2-hydroxybenzoyl)amino]-2-methylheptanoic acid
CID 65285765
2-bromo-4-fluoro-N-(3-methylbutyl)benzamide
CID 24700389
methyl (2S)-2-[(2-bromo-4-fluorobenzoyl)amino]propanoate
CID 61141421
4-[(2-bromo-4-fluorobenzoyl)amino]-3-methylbutanoic acid
CID 81064448
ethyl 2-[(2-bromo-4-fluorobenzoyl)amino]propanoate
CID 61498783

Frequently Asked Questions

What is the IUPAC name of 6-[(2-bromo-4-fluorobenzoyl)amino]-2-methylheptanoic acid?
The IUPAC name of 6-[(2-bromo-4-fluorobenzoyl)amino]-2-methylheptanoic acid (CID 65285579) is 6-[(2-bromo-4-fluorobenzoyl)amino]-2-methylheptanoic acid.
What is the SMILES notation for 6-[(2-bromo-4-fluorobenzoyl)amino]-2-methylheptanoic acid?
The canonical SMILES for 6-[(2-bromo-4-fluorobenzoyl)amino]-2-methylheptanoic acid is CC(CCCC(C)C(=O)O)NC(=O)c1ccc(F)cc1Br.
What is the InChIKey of 6-[(2-bromo-4-fluorobenzoyl)amino]-2-methylheptanoic acid?
The InChIKey is XCOPGALPRGAOGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrFNO3/c1-9(15(20)21)4-3-5-10(2)18-14(19)12-7-6-11(17)8-13(12)16/h6-10H,3-5H2,1-2H3,(H,18,19)(H,20,21).
What are the key properties of 6-[(2-bromo-4-fluorobenzoyl)amino]-2-methylheptanoic acid?
6-[(2-bromo-4-fluorobenzoyl)amino]-2-methylheptanoic acid has a molecular weight of 360.22 g/mol, XLogP of 3.60, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-bromo-4-fluorobenzoyl)amino]-2-methylheptanoic acid is sourced from PubChem (CID 65285579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).