3-[(4-fluorobenzoyl)amino]-5-(4-piperidin-4-ylphenyl)benzoic acid

C25H23FN2O3 — CID 155521419

IUPAC3-[(4-fluorobenzoyl)amino]-5-(4-piperidin-4-ylphenyl)benzoic acid
SMILESO=C(O)c1cc(NC(=O)c2ccc(F)cc2)cc(-c2ccc(C3CCNCC3)cc2)c1
InChIInChI=1S/C25H23FN2O3/c26-22-7-5-19(6-8-22)24(29)28-23-14-20(13-21(15-23)25(30)31)17-3-1-16(2-4-17)18-9-11-27-12-10-18/h1-8,13-15,18,27H,9-12H2,(H,28,29)(H,30,31)
InChIKeyCHJFBODXWLUKRG-UHFFFAOYSA-N
MW418.47 g/mol
LogP4.91
Rot. Bonds5

About 3-[(4-fluorobenzoyl)amino]-5-(4-piperidin-4-ylphenyl)benzoic acid

3-[(4-fluorobenzoyl)amino]-5-(4-piperidin-4-ylphenyl)benzoic acid (PubChem CID 155521419) has the molecular formula C25H23FN2O3 and a molecular weight of 418.47 g/mol. Its IUPAC name is 3-[(4-fluorobenzoyl)amino]-5-(4-piperidin-4-ylphenyl)benzoic acid.

Molecular Properties

Compound Name3-[(4-fluorobenzoyl)amino]-5-(4-piperidin-4-ylphenyl)benzoic acid
PubChem CID155521419
Molecular FormulaC25H23FN2O3
Molecular Weight418.47 g/mol
Exact Mass418.17
IUPAC Name3-[(4-fluorobenzoyl)amino]-5-(4-piperidin-4-ylphenyl)benzoic acid
SMILESO=C(O)c1cc(NC(=O)c2ccc(F)cc2)cc(-c2ccc(C3CCNCC3)cc2)c1
InChIInChI=1S/C25H23FN2O3/c26-22-7-5-19(6-8-22)24(29)28-23-14-20(13-21(15-23)25(30)31)17-3-1-16(2-4-17)18-9-11-27-12-10-18/h1-8,13-15,18,27H,9-12H2,(H,28,29)(H,30,31)
InChIKeyCHJFBODXWLUKRG-UHFFFAOYSA-N
XLogP4.91
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.47
LogP ≤ 54.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorobenzoyl)amino]-5-(4-piperidin-4-ylphenyl)benzoic acid?
The IUPAC name of 3-[(4-fluorobenzoyl)amino]-5-(4-piperidin-4-ylphenyl)benzoic acid (CID 155521419) is 3-[(4-fluorobenzoyl)amino]-5-(4-piperidin-4-ylphenyl)benzoic acid.
What is the SMILES notation for 3-[(4-fluorobenzoyl)amino]-5-(4-piperidin-4-ylphenyl)benzoic acid?
The canonical SMILES for 3-[(4-fluorobenzoyl)amino]-5-(4-piperidin-4-ylphenyl)benzoic acid is O=C(O)c1cc(NC(=O)c2ccc(F)cc2)cc(-c2ccc(C3CCNCC3)cc2)c1.
What is the InChIKey of 3-[(4-fluorobenzoyl)amino]-5-(4-piperidin-4-ylphenyl)benzoic acid?
The InChIKey is CHJFBODXWLUKRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN2O3/c26-22-7-5-19(6-8-22)24(29)28-23-14-20(13-21(15-23)25(30)31)17-3-1-16(2-4-17)18-9-11-27-12-10-18/h1-8,13-15,18,27H,9-12H2,(H,28,29)(H,30,31).
What are the key properties of 3-[(4-fluorobenzoyl)amino]-5-(4-piperidin-4-ylphenyl)benzoic acid?
3-[(4-fluorobenzoyl)amino]-5-(4-piperidin-4-ylphenyl)benzoic acid has a molecular weight of 418.47 g/mol, XLogP of 4.91, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorobenzoyl)amino]-5-(4-piperidin-4-ylphenyl)benzoic acid is sourced from PubChem (CID 155521419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).