2-[(2-bromo-4-fluorobenzoyl)amino]pentanoic acid

C12H13BrFNO3 — CID 43630288

IUPAC2-[(2-bromo-4-fluorobenzoyl)amino]pentanoic acid
SMILESCCCC(NC(=O)c1ccc(F)cc1Br)C(=O)O
InChIInChI=1S/C12H13BrFNO3/c1-2-3-10(12(17)18)15-11(16)8-5-4-7(14)6-9(8)13/h4-6,10H,2-3H2,1H3,(H,15,16)(H,17,18)
InChIKeyFHUVKRMBBUOEKX-UHFFFAOYSA-N
MW318.14 g/mol
LogP2.57
Rot. Bonds5

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

2-[(2-bromo-4-fluorobenzoyl)amino]pentanoic acid (PubChem CID 43630288) has the molecular formula C12H13BrFNO3 and a molecular weight of 318.14 g/mol. Its IUPAC name is 2-[(2-bromo-4-fluorobenzoyl)amino]pentanoic acid.

Molecular Properties

Compound Name2-[(2-bromo-4-fluorobenzoyl)amino]pentanoic acid
PubChem CID43630288
Molecular FormulaC12H13BrFNO3
Molecular Weight318.14 g/mol
Exact Mass317.01
IUPAC Name2-[(2-bromo-4-fluorobenzoyl)amino]pentanoic acid
SMILESCCCC(NC(=O)c1ccc(F)cc1Br)C(=O)O
InChIInChI=1S/C12H13BrFNO3/c1-2-3-10(12(17)18)15-11(16)8-5-4-7(14)6-9(8)13/h4-6,10H,2-3H2,1H3,(H,15,16)(H,17,18)
InChIKeyFHUVKRMBBUOEKX-UHFFFAOYSA-N
XLogP2.57
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.14
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[(2,4-difluorobenzoyl)amino]pentanoic acid
CID 107564266
6-[(2-bromo-4-fluorobenzoyl)amino]-2-methylheptanoic acid
CID 65285579
2-[(2-bromo-4-fluorobenzoyl)amino]propanoic acid
CID 16778204
(2R)-2-[[2-(2-bromo-4-fluorophenoxy)acetyl]amino]pentanoic acid
CID 107562867
(2S)-2-[(2-bromo-5-fluorobenzoyl)amino]-4-hydroxybutanoic acid
CID 107821847
(2R)-2-[(2-bromo-5-chlorobenzoyl)amino]pentanoic acid
CID 99851723
ethyl 2-[(2-bromo-4-fluorobenzoyl)amino]propanoate
CID 61498783
3-[(2-bromo-4-fluorobenzoyl)amino]-2-methylpropanoic acid
CID 62675482
2-[(5-chloro-2-fluorobenzoyl)amino]pentanoic acid
CID 43630351
(2S)-2-[(5-fluoro-2-hydroxybenzoyl)amino]hexanoic acid
CID 107144035
2-bromo-4-fluoro-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 51206303
5-[(2-bromo-4-fluorobenzoyl)amino]hexanoic acid
CID 82854455

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromo-4-fluorobenzoyl)amino]pentanoic acid?
The IUPAC name of 2-[(2-bromo-4-fluorobenzoyl)amino]pentanoic acid (CID 43630288) is 2-[(2-bromo-4-fluorobenzoyl)amino]pentanoic acid.
What is the SMILES notation for 2-[(2-bromo-4-fluorobenzoyl)amino]pentanoic acid?
The canonical SMILES for 2-[(2-bromo-4-fluorobenzoyl)amino]pentanoic acid is CCCC(NC(=O)c1ccc(F)cc1Br)C(=O)O.
What is the InChIKey of 2-[(2-bromo-4-fluorobenzoyl)amino]pentanoic acid?
The InChIKey is FHUVKRMBBUOEKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrFNO3/c1-2-3-10(12(17)18)15-11(16)8-5-4-7(14)6-9(8)13/h4-6,10H,2-3H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 2-[(2-bromo-4-fluorobenzoyl)amino]pentanoic acid?
2-[(2-bromo-4-fluorobenzoyl)amino]pentanoic acid has a molecular weight of 318.14 g/mol, XLogP of 2.57, 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]pentanoic acid is sourced from PubChem (CID 43630288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).