2-fluoro-5-[(1-propylpyrrole-2-carbonyl)amino]benzoic acid

C15H15FN2O3 — CID 60825640

IUPAC2-fluoro-5-[(1-propylpyrrole-2-carbonyl)amino]benzoic acid
SMILESCCCn1cccc1C(=O)Nc1ccc(F)c(C(=O)O)c1
InChIInChI=1S/C15H15FN2O3/c1-2-7-18-8-3-4-13(18)14(19)17-10-5-6-12(16)11(9-10)15(20)21/h3-6,8-9H,2,7H2,1H3,(H,17,19)(H,20,21)
InChIKeyIWGIMRGGIUCUJO-UHFFFAOYSA-N
MW290.29 g/mol
LogP2.99
Rot. Bonds5

About 2-fluoro-5-[(1-propylpyrrole-2-carbonyl)amino]benzoic acid

2-fluoro-5-[(1-propylpyrrole-2-carbonyl)amino]benzoic acid (PubChem CID 60825640) has the molecular formula C15H15FN2O3 and a molecular weight of 290.29 g/mol. Its IUPAC name is 2-fluoro-5-[(1-propylpyrrole-2-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name2-fluoro-5-[(1-propylpyrrole-2-carbonyl)amino]benzoic acid
PubChem CID60825640
Molecular FormulaC15H15FN2O3
Molecular Weight290.29 g/mol
Exact Mass290.11
IUPAC Name2-fluoro-5-[(1-propylpyrrole-2-carbonyl)amino]benzoic acid
SMILESCCCn1cccc1C(=O)Nc1ccc(F)c(C(=O)O)c1
InChIInChI=1S/C15H15FN2O3/c1-2-7-18-8-3-4-13(18)14(19)17-10-5-6-12(16)11(9-10)15(20)21/h3-6,8-9H,2,7H2,1H3,(H,17,19)(H,20,21)
InChIKeyIWGIMRGGIUCUJO-UHFFFAOYSA-N
XLogP2.99
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-[(1-propylpyrrole-2-carbonyl)amino]benzoic acid?
The IUPAC name of 2-fluoro-5-[(1-propylpyrrole-2-carbonyl)amino]benzoic acid (CID 60825640) is 2-fluoro-5-[(1-propylpyrrole-2-carbonyl)amino]benzoic acid.
What is the SMILES notation for 2-fluoro-5-[(1-propylpyrrole-2-carbonyl)amino]benzoic acid?
The canonical SMILES for 2-fluoro-5-[(1-propylpyrrole-2-carbonyl)amino]benzoic acid is CCCn1cccc1C(=O)Nc1ccc(F)c(C(=O)O)c1.
What is the InChIKey of 2-fluoro-5-[(1-propylpyrrole-2-carbonyl)amino]benzoic acid?
The InChIKey is IWGIMRGGIUCUJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O3/c1-2-7-18-8-3-4-13(18)14(19)17-10-5-6-12(16)11(9-10)15(20)21/h3-6,8-9H,2,7H2,1H3,(H,17,19)(H,20,21).
What are the key properties of 2-fluoro-5-[(1-propylpyrrole-2-carbonyl)amino]benzoic acid?
2-fluoro-5-[(1-propylpyrrole-2-carbonyl)amino]benzoic acid has a molecular weight of 290.29 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-[(1-propylpyrrole-2-carbonyl)amino]benzoic acid is sourced from PubChem (CID 60825640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).