4-(2-bromo-5-fluoroanilino)pentanoic acid

C11H13BrFNO2 — CID 107633429

IUPAC4-(2-bromo-5-fluoroanilino)pentanoic acid
SMILESCC(CCC(=O)O)Nc1cc(F)ccc1Br
InChIInChI=1S/C11H13BrFNO2/c1-7(2-5-11(15)16)14-10-6-8(13)3-4-9(10)12/h3-4,6-7,14H,2,5H2,1H3,(H,15,16)
InChIKeyYJFOQBLTZFYUDD-UHFFFAOYSA-N
MW290.13 g/mol
LogP3.25
Rot. Bonds5

About 4-(2-bromo-5-fluoroanilino)pentanoic acid

4-(2-bromo-5-fluoroanilino)pentanoic acid (PubChem CID 107633429) has the molecular formula C11H13BrFNO2 and a molecular weight of 290.13 g/mol. Its IUPAC name is 4-(2-bromo-5-fluoroanilino)pentanoic acid.

Molecular Properties

Compound Name4-(2-bromo-5-fluoroanilino)pentanoic acid
PubChem CID107633429
Molecular FormulaC11H13BrFNO2
Molecular Weight290.13 g/mol
Exact Mass289.01
IUPAC Name4-(2-bromo-5-fluoroanilino)pentanoic acid
SMILESCC(CCC(=O)O)Nc1cc(F)ccc1Br
InChIInChI=1S/C11H13BrFNO2/c1-7(2-5-11(15)16)14-10-6-8(13)3-4-9(10)12/h3-4,6-7,14H,2,5H2,1H3,(H,15,16)
InChIKeyYJFOQBLTZFYUDD-UHFFFAOYSA-N
XLogP3.25
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.13
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-N-(5,5-dimethylhexan-2-yl)-5-fluoroaniline
CID 114279957
2-bromo-5-fluoro-N-(4-phenylbutan-2-yl)aniline
CID 107632948
4-(4-bromo-2,3-dichloroanilino)pentanoic acid
CID 114001638
3-(2-bromo-5-fluoroanilino)propanoic acid
CID 107635600
2-bromo-5-fluoro-N-octan-2-ylaniline
CID 107632967
tert-butyl N-[2-(2-bromo-5-fluoroanilino)propyl]carbamate
CID 107632654
5-(2-bromo-5-fluoroanilino)-5-oxopentanoic acid
CID 104573927
5-(2-carbamoyl-4-fluoroanilino)hexanoic acid
CID 82847895
5-[(2-bromo-4-fluorophenyl)carbamoylamino]hexanoic acid
CID 82845882
2-bromo-N-(2,6-dimethylheptan-4-yl)-5-fluoroaniline
CID 107632561
(4S)-4-[(5-fluoro-2-methylbenzoyl)amino]pentanoic acid
CID 95359084
5-[(2-bromo-4-fluorobenzoyl)amino]hexanoic acid
CID 82854455

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromo-5-fluoroanilino)pentanoic acid?
The IUPAC name of 4-(2-bromo-5-fluoroanilino)pentanoic acid (CID 107633429) is 4-(2-bromo-5-fluoroanilino)pentanoic acid.
What is the SMILES notation for 4-(2-bromo-5-fluoroanilino)pentanoic acid?
The canonical SMILES for 4-(2-bromo-5-fluoroanilino)pentanoic acid is CC(CCC(=O)O)Nc1cc(F)ccc1Br.
What is the InChIKey of 4-(2-bromo-5-fluoroanilino)pentanoic acid?
The InChIKey is YJFOQBLTZFYUDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrFNO2/c1-7(2-5-11(15)16)14-10-6-8(13)3-4-9(10)12/h3-4,6-7,14H,2,5H2,1H3,(H,15,16).
What are the key properties of 4-(2-bromo-5-fluoroanilino)pentanoic acid?
4-(2-bromo-5-fluoroanilino)pentanoic acid has a molecular weight of 290.13 g/mol, XLogP of 3.25, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromo-5-fluoroanilino)pentanoic acid is sourced from PubChem (CID 107633429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).