5-(4-fluoro-2-methylanilino)-5-oxopentanoic acid

C12H14FNO3 — CID 17283084

IUPAC5-(4-fluoro-2-methylanilino)-5-oxopentanoic acid
SMILESCc1cc(F)ccc1NC(=O)CCCC(=O)O
InChIInChI=1S/C12H14FNO3/c1-8-7-9(13)5-6-10(8)14-11(15)3-2-4-12(16)17/h5-7H,2-4H2,1H3,(H,14,15)(H,16,17)
InChIKeyHXAVSZBIJRYRGS-UHFFFAOYSA-N
MW239.25 g/mol
LogP2.33
Rot. Bonds5

About 5-(4-fluoro-2-methylanilino)-5-oxopentanoic acid

5-(4-fluoro-2-methylanilino)-5-oxopentanoic acid (PubChem CID 17283084) has the molecular formula C12H14FNO3 and a molecular weight of 239.25 g/mol. Its IUPAC name is 5-(4-fluoro-2-methylanilino)-5-oxopentanoic acid.

Molecular Properties

Compound Name5-(4-fluoro-2-methylanilino)-5-oxopentanoic acid
PubChem CID17283084
Molecular FormulaC12H14FNO3
Molecular Weight239.25 g/mol
Exact Mass239.10
IUPAC Name5-(4-fluoro-2-methylanilino)-5-oxopentanoic acid
SMILESCc1cc(F)ccc1NC(=O)CCCC(=O)O
InChIInChI=1S/C12H14FNO3/c1-8-7-9(13)5-6-10(8)14-11(15)3-2-4-12(16)17/h5-7H,2-4H2,1H3,(H,14,15)(H,16,17)
InChIKeyHXAVSZBIJRYRGS-UHFFFAOYSA-N
XLogP2.33
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.25
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-fluoro-2-methylphenyl)hexanamide
CID 17069266
5-(4-hydroxy-2-methylanilino)-5-oxopentanoic acid
CID 27407074
5-(2-bromo-4-fluoroanilino)-5-oxopentanoic acid
CID 43529761
4-(4-carboxybutanoylamino)-3-methylbenzoic acid
CID 2223782
7-amino-N-(4-fluoro-2-methylphenyl)heptanamide;hydrochloride
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N-(4-fluoro-2-methylphenyl)-3-phenylpropanamide
CID 7751880
5-(2-amino-5-fluoroanilino)-5-oxopentanoic acid
CID 110482697
5-(2-bromo-5-fluoroanilino)-5-oxopentanoic acid
CID 104573927
5-(2-methyl-4-propan-2-yloxyanilino)-5-oxopentanoic acid
CID 60933969
5-[(5-fluoro-2-methylphenyl)carbamoylamino]-5-oxopentanoic acid
CID 28931858
5-(2,5-difluoro-4-methylanilino)-5-oxopentanoic acid
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4-[(4-fluoro-2-methylphenyl)sulfamoyl]butanoic acid
CID 28773802

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluoro-2-methylanilino)-5-oxopentanoic acid?
The IUPAC name of 5-(4-fluoro-2-methylanilino)-5-oxopentanoic acid (CID 17283084) is 5-(4-fluoro-2-methylanilino)-5-oxopentanoic acid.
What is the SMILES notation for 5-(4-fluoro-2-methylanilino)-5-oxopentanoic acid?
The canonical SMILES for 5-(4-fluoro-2-methylanilino)-5-oxopentanoic acid is Cc1cc(F)ccc1NC(=O)CCCC(=O)O.
What is the InChIKey of 5-(4-fluoro-2-methylanilino)-5-oxopentanoic acid?
The InChIKey is HXAVSZBIJRYRGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO3/c1-8-7-9(13)5-6-10(8)14-11(15)3-2-4-12(16)17/h5-7H,2-4H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 5-(4-fluoro-2-methylanilino)-5-oxopentanoic acid?
5-(4-fluoro-2-methylanilino)-5-oxopentanoic acid has a molecular weight of 239.25 g/mol, XLogP of 2.33, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluoro-2-methylanilino)-5-oxopentanoic acid is sourced from PubChem (CID 17283084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).