5-fluoro-2-(3-pyridin-4-ylpropanoylamino)benzoic acid

C15H13FN2O3 — CID 114289592

IUPAC5-fluoro-2-(3-pyridin-4-ylpropanoylamino)benzoic acid
SMILESO=C(CCc1ccncc1)Nc1ccc(F)cc1C(=O)O
InChIInChI=1S/C15H13FN2O3/c16-11-2-3-13(12(9-11)15(20)21)18-14(19)4-1-10-5-7-17-8-6-10/h2-3,5-9H,1,4H2,(H,18,19)(H,20,21)
InChIKeyVCHXINRPPSZRLQ-UHFFFAOYSA-N
MW288.28 g/mol
LogP2.49
Rot. Bonds5

About 5-fluoro-2-(3-pyridin-4-ylpropanoylamino)benzoic acid

5-fluoro-2-(3-pyridin-4-ylpropanoylamino)benzoic acid (PubChem CID 114289592) has the molecular formula C15H13FN2O3 and a molecular weight of 288.28 g/mol. Its IUPAC name is 5-fluoro-2-(3-pyridin-4-ylpropanoylamino)benzoic acid.

Molecular Properties

Compound Name5-fluoro-2-(3-pyridin-4-ylpropanoylamino)benzoic acid
PubChem CID114289592
Molecular FormulaC15H13FN2O3
Molecular Weight288.28 g/mol
Exact Mass288.09
IUPAC Name5-fluoro-2-(3-pyridin-4-ylpropanoylamino)benzoic acid
SMILESO=C(CCc1ccncc1)Nc1ccc(F)cc1C(=O)O
InChIInChI=1S/C15H13FN2O3/c16-11-2-3-13(12(9-11)15(20)21)18-14(19)4-1-10-5-7-17-8-6-10/h2-3,5-9H,1,4H2,(H,18,19)(H,20,21)
InChIKeyVCHXINRPPSZRLQ-UHFFFAOYSA-N
XLogP2.49
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.28
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(6-aminohexanoylamino)-5-fluorobenzoic acid
CID 61157607
3-pyridin-4-yl-N-(2,3,4-trifluorophenyl)propanamide
CID 110468478
5-fluoro-2-(4-methylpentanoylamino)benzoic acid
CID 28544126
5-fluoro-2-(3-methylsulfanylpropanoylamino)benzoic acid
CID 28779503
3-(4-fluorophenyl)-N-pyridin-4-ylpropanamide
CID 30157880
4-hydroxy-3-(3-pyridin-4-ylpropanoylamino)benzoic acid
CID 107264616
5-fluoro-2-(3,3,3-trifluoropropanoylamino)benzoic acid
CID 24711242
N-(4-fluoro-2-methylphenyl)-3-phenylpropanamide
CID 7751880
2-(3-pyridin-4-ylpropanoylamino)thiophene-3-carboxylic acid
CID 113269888
5-chloro-2-[3-[4-(trifluoromethyl)phenyl]propanoylamino]benzoic acid
CID 141007949
5-fluoro-2-(2-pyridin-4-ylethoxy)benzoic acid
CID 113281429
5-methyl-2-(3-pyridin-3-ylpropanoylamino)benzoic acid
CID 43359065

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(3-pyridin-4-ylpropanoylamino)benzoic acid?
The IUPAC name of 5-fluoro-2-(3-pyridin-4-ylpropanoylamino)benzoic acid (CID 114289592) is 5-fluoro-2-(3-pyridin-4-ylpropanoylamino)benzoic acid.
What is the SMILES notation for 5-fluoro-2-(3-pyridin-4-ylpropanoylamino)benzoic acid?
The canonical SMILES for 5-fluoro-2-(3-pyridin-4-ylpropanoylamino)benzoic acid is O=C(CCc1ccncc1)Nc1ccc(F)cc1C(=O)O.
What is the InChIKey of 5-fluoro-2-(3-pyridin-4-ylpropanoylamino)benzoic acid?
The InChIKey is VCHXINRPPSZRLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O3/c16-11-2-3-13(12(9-11)15(20)21)18-14(19)4-1-10-5-7-17-8-6-10/h2-3,5-9H,1,4H2,(H,18,19)(H,20,21).
What are the key properties of 5-fluoro-2-(3-pyridin-4-ylpropanoylamino)benzoic acid?
5-fluoro-2-(3-pyridin-4-ylpropanoylamino)benzoic acid has a molecular weight of 288.28 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(3-pyridin-4-ylpropanoylamino)benzoic acid is sourced from PubChem (CID 114289592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).