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

C15H13FN2O3 — CID 107526552

IUPAC2-fluoro-4-(3-pyridin-2-ylpropanoylamino)benzoic acid
SMILESO=C(CCc1ccccn1)Nc1ccc(C(=O)O)c(F)c1
InChIInChI=1S/C15H13FN2O3/c16-13-9-11(4-6-12(13)15(20)21)18-14(19)7-5-10-3-1-2-8-17-10/h1-4,6,8-9H,5,7H2,(H,18,19)(H,20,21)
InChIKeySUHMNCCTGHHARR-UHFFFAOYSA-N
MW288.28 g/mol
LogP2.49
Rot. Bonds5

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

2-fluoro-4-(3-pyridin-2-ylpropanoylamino)benzoic acid (PubChem CID 107526552) has the molecular formula C15H13FN2O3 and a molecular weight of 288.28 g/mol. Its IUPAC name is 2-fluoro-4-(3-pyridin-2-ylpropanoylamino)benzoic acid.

Molecular Properties

Compound Name2-fluoro-4-(3-pyridin-2-ylpropanoylamino)benzoic acid
PubChem CID107526552
Molecular FormulaC15H13FN2O3
Molecular Weight288.28 g/mol
Exact Mass288.09
IUPAC Name2-fluoro-4-(3-pyridin-2-ylpropanoylamino)benzoic acid
SMILESO=C(CCc1ccccn1)Nc1ccc(C(=O)O)c(F)c1
InChIInChI=1S/C15H13FN2O3/c16-13-9-11(4-6-12(13)15(20)21)18-14(19)7-5-10-3-1-2-8-17-10/h1-4,6,8-9H,5,7H2,(H,18,19)(H,20,21)
InChIKeySUHMNCCTGHHARR-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

N-(3-amino-4-fluorophenyl)-3-pyridin-2-ylpropanamide
CID 81466595
2-(3-pyridin-2-ylpropanoylamino)benzoic acid
CID 110468304
N-(4-hydroxyphenyl)-3-pyridin-2-ylpropanamide
CID 80743821
N-(2,6-difluorophenyl)-3-pyridin-2-ylpropanamide
CID 110389270
2-fluoro-6-(3-pyridin-2-ylpropanoylamino)benzoic acid
CID 114289600
N-(3-bromo-4-methylphenyl)-3-pyridin-2-ylpropanamide
CID 110389230
2-fluoro-4-[3-(methylamino)propanoylamino]benzoic acid
CID 114002257
3-pyridin-2-yl-N-(1,2,3,4-tetrahydroquinolin-6-yl)propanamide
CID 81485558
2-fluoro-4-(2-pyridin-2-ylethoxymethyl)benzoic acid
CID 106698358
N-(3-chloro-4-methoxyphenyl)-3-pyridin-2-ylpropanamide
CID 47468190
3-pyridin-2-yl-N-pyridin-3-ylpropanamide
CID 47468155
2-fluoro-5-(pyridin-2-ylmethylcarbamoylamino)benzoic acid
CID 61191402

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(3-pyridin-2-ylpropanoylamino)benzoic acid?
The IUPAC name of 2-fluoro-4-(3-pyridin-2-ylpropanoylamino)benzoic acid (CID 107526552) is 2-fluoro-4-(3-pyridin-2-ylpropanoylamino)benzoic acid.
What is the SMILES notation for 2-fluoro-4-(3-pyridin-2-ylpropanoylamino)benzoic acid?
The canonical SMILES for 2-fluoro-4-(3-pyridin-2-ylpropanoylamino)benzoic acid is O=C(CCc1ccccn1)Nc1ccc(C(=O)O)c(F)c1.
What is the InChIKey of 2-fluoro-4-(3-pyridin-2-ylpropanoylamino)benzoic acid?
The InChIKey is SUHMNCCTGHHARR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O3/c16-13-9-11(4-6-12(13)15(20)21)18-14(19)7-5-10-3-1-2-8-17-10/h1-4,6,8-9H,5,7H2,(H,18,19)(H,20,21).
What are the key properties of 2-fluoro-4-(3-pyridin-2-ylpropanoylamino)benzoic acid?
2-fluoro-4-(3-pyridin-2-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 2-fluoro-4-(3-pyridin-2-ylpropanoylamino)benzoic acid is sourced from PubChem (CID 107526552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).