4-fluoro-2-(2-propylpentanoylamino)benzoic acid

C15H20FNO3 — CID 82984973

IUPAC4-fluoro-2-(2-propylpentanoylamino)benzoic acid
SMILESCCCC(CCC)C(=O)Nc1cc(F)ccc1C(=O)O
InChIInChI=1S/C15H20FNO3/c1-3-5-10(6-4-2)14(18)17-13-9-11(16)7-8-12(13)15(19)20/h7-10H,3-6H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyOGKNIVGUXAMPEK-UHFFFAOYSA-N
MW281.33 g/mol
LogP3.68
Rot. Bonds7

About 4-fluoro-2-(2-propylpentanoylamino)benzoic acid

4-fluoro-2-(2-propylpentanoylamino)benzoic acid (PubChem CID 82984973) has the molecular formula C15H20FNO3 and a molecular weight of 281.33 g/mol. Its IUPAC name is 4-fluoro-2-(2-propylpentanoylamino)benzoic acid.

Molecular Properties

Compound Name4-fluoro-2-(2-propylpentanoylamino)benzoic acid
PubChem CID82984973
Molecular FormulaC15H20FNO3
Molecular Weight281.33 g/mol
Exact Mass281.14
IUPAC Name4-fluoro-2-(2-propylpentanoylamino)benzoic acid
SMILESCCCC(CCC)C(=O)Nc1cc(F)ccc1C(=O)O
InChIInChI=1S/C15H20FNO3/c1-3-5-10(6-4-2)14(18)17-13-9-11(16)7-8-12(13)15(19)20/h7-10H,3-6H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyOGKNIVGUXAMPEK-UHFFFAOYSA-N
XLogP3.68
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-fluoro-2-(pentan-2-ylcarbamoylamino)benzoic acid
CID 61183430
2-(2-aminobutanoylamino)-4-fluorobenzoic acid
CID 61156854
2-[[(2R)-2-aminopropanoyl]amino]-4-fluorobenzoic acid
CID 78973510
2-[(2-amino-3-methylbutanoyl)amino]-4-fluorobenzoic acid
CID 61158299
2-[[(2S)-2-amino-3-methylbutanoyl]amino]-4-fluorobenzoic acid
CID 61158303
3-carboxy-4-(2-propylpentanoylamino)phenolate
CID 54689486
2-(aminomethyl)-N-(2-chloro-5-fluorophenyl)pentanamide
CID 107528482
4-fluoro-2-(3-methylbutan-2-ylcarbamoylamino)benzoic acid
CID 61185795
4-fluoro-2-[[2-(propan-2-ylamino)acetyl]amino]benzoic acid
CID 61157031
2-(3,3-dimethylbutan-2-ylcarbamoylamino)-4-fluorobenzoic acid
CID 104829407
2-[(2-bromoacetyl)amino]-4-fluorobenzoic acid
CID 18929235
2-[[2-(aminomethyl)-2-ethylbutanoyl]amino]-4-fluorobenzoic acid
CID 115432269

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-(2-propylpentanoylamino)benzoic acid?
The IUPAC name of 4-fluoro-2-(2-propylpentanoylamino)benzoic acid (CID 82984973) is 4-fluoro-2-(2-propylpentanoylamino)benzoic acid.
What is the SMILES notation for 4-fluoro-2-(2-propylpentanoylamino)benzoic acid?
The canonical SMILES for 4-fluoro-2-(2-propylpentanoylamino)benzoic acid is CCCC(CCC)C(=O)Nc1cc(F)ccc1C(=O)O.
What is the InChIKey of 4-fluoro-2-(2-propylpentanoylamino)benzoic acid?
The InChIKey is OGKNIVGUXAMPEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO3/c1-3-5-10(6-4-2)14(18)17-13-9-11(16)7-8-12(13)15(19)20/h7-10H,3-6H2,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 4-fluoro-2-(2-propylpentanoylamino)benzoic acid?
4-fluoro-2-(2-propylpentanoylamino)benzoic acid has a molecular weight of 281.33 g/mol, XLogP of 3.68, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-(2-propylpentanoylamino)benzoic acid is sourced from PubChem (CID 82984973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).