2-[(4-fluorobenzoyl)amino]-5-(4-methylpiperidin-1-yl)benzoic acid

C20H21FN2O3 — CID 50782697

IUPAC2-[(4-fluorobenzoyl)amino]-5-(4-methylpiperidin-1-yl)benzoic acid
SMILESCC1CCN(c2ccc(NC(=O)c3ccc(F)cc3)c(C(=O)O)c2)CC1
InChIInChI=1S/C20H21FN2O3/c1-13-8-10-23(11-9-13)16-6-7-18(17(12-16)20(25)26)22-19(24)14-2-4-15(21)5-3-14/h2-7,12-13H,8-11H2,1H3,(H,22,24)(H,25,26)
InChIKeyGHZPUOGYQXTHGI-UHFFFAOYSA-N
MW356.40 g/mol
LogP4.01
Rot. Bonds4

About 2-[(4-fluorobenzoyl)amino]-5-(4-methylpiperidin-1-yl)benzoic acid

2-[(4-fluorobenzoyl)amino]-5-(4-methylpiperidin-1-yl)benzoic acid (PubChem CID 50782697) has the molecular formula C20H21FN2O3 and a molecular weight of 356.40 g/mol. Its IUPAC name is 2-[(4-fluorobenzoyl)amino]-5-(4-methylpiperidin-1-yl)benzoic acid.

Molecular Properties

Compound Name2-[(4-fluorobenzoyl)amino]-5-(4-methylpiperidin-1-yl)benzoic acid
PubChem CID50782697
Molecular FormulaC20H21FN2O3
Molecular Weight356.40 g/mol
Exact Mass356.15
IUPAC Name2-[(4-fluorobenzoyl)amino]-5-(4-methylpiperidin-1-yl)benzoic acid
SMILESCC1CCN(c2ccc(NC(=O)c3ccc(F)cc3)c(C(=O)O)c2)CC1
InChIInChI=1S/C20H21FN2O3/c1-13-8-10-23(11-9-13)16-6-7-18(17(12-16)20(25)26)22-19(24)14-2-4-15(21)5-3-14/h2-7,12-13H,8-11H2,1H3,(H,22,24)(H,25,26)
InChIKeyGHZPUOGYQXTHGI-UHFFFAOYSA-N
XLogP4.01
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-fluorobenzoyl)amino]-5-[4-(4-fluorophenyl)piperazin-1-yl]benzoic acid
CID 50782097
2-[(4-fluorobenzoyl)amino]-5-[(3R)-3-methylpiperidin-1-yl]benzoic acid
CID 95054138
5-(4-carbamoylpiperidin-1-yl)-2-[(4-fluorobenzoyl)amino]benzoic acid
CID 50782723
5-(4-ethylpiperazin-1-yl)-2-[(4-fluorobenzoyl)amino]benzoic acid
CID 50782098
5-[(3S)-3-ethoxycarbonylpiperidin-1-yl]-2-[(4-fluorobenzoyl)amino]benzoic acid
CID 95054137
5-[(3R)-3-ethoxycarbonylpiperidin-1-yl]-2-[(4-fluorobenzoyl)amino]benzoic acid
CID 95054136
2-[(4-fluorobenzoyl)amino]-5-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]benzoic acid
CID 50782033
2-[(4-fluorobenzoyl)amino]-5-[3-(3-methylphenyl)pyrrolidin-1-yl]benzoic acid;2,2,2-trifluoroacetic acid
CID 146057915
5-(4-carbamoylpiperidin-1-yl)-2-[(4-chlorobenzoyl)amino]benzoic acid
CID 50782912
2-[(4-methoxybenzoyl)amino]-5-(3-methylpiperidin-1-yl)benzoic acid;2,2,2-trifluoroacetic acid
CID 146058003
5-(4-cyclohexylpiperazin-1-yl)-2-[(4-methoxybenzoyl)amino]benzoic acid
CID 50782152
2-[(4-methylbenzoyl)amino]-5-(4-propylpiperazin-1-yl)benzoic acid
CID 50782003

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorobenzoyl)amino]-5-(4-methylpiperidin-1-yl)benzoic acid?
The IUPAC name of 2-[(4-fluorobenzoyl)amino]-5-(4-methylpiperidin-1-yl)benzoic acid (CID 50782697) is 2-[(4-fluorobenzoyl)amino]-5-(4-methylpiperidin-1-yl)benzoic acid.
What is the SMILES notation for 2-[(4-fluorobenzoyl)amino]-5-(4-methylpiperidin-1-yl)benzoic acid?
The canonical SMILES for 2-[(4-fluorobenzoyl)amino]-5-(4-methylpiperidin-1-yl)benzoic acid is CC1CCN(c2ccc(NC(=O)c3ccc(F)cc3)c(C(=O)O)c2)CC1.
What is the InChIKey of 2-[(4-fluorobenzoyl)amino]-5-(4-methylpiperidin-1-yl)benzoic acid?
The InChIKey is GHZPUOGYQXTHGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O3/c1-13-8-10-23(11-9-13)16-6-7-18(17(12-16)20(25)26)22-19(24)14-2-4-15(21)5-3-14/h2-7,12-13H,8-11H2,1H3,(H,22,24)(H,25,26).
What are the key properties of 2-[(4-fluorobenzoyl)amino]-5-(4-methylpiperidin-1-yl)benzoic acid?
2-[(4-fluorobenzoyl)amino]-5-(4-methylpiperidin-1-yl)benzoic acid has a molecular weight of 356.40 g/mol, XLogP of 4.01, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorobenzoyl)amino]-5-(4-methylpiperidin-1-yl)benzoic acid is sourced from PubChem (CID 50782697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).