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

C24H21F2N3O3 — CID 50782097

IUPAC2-[(4-fluorobenzoyl)amino]-5-[4-(4-fluorophenyl)piperazin-1-yl]benzoic acid
SMILESO=C(Nc1ccc(N2CCN(c3ccc(F)cc3)CC2)cc1C(=O)O)c1ccc(F)cc1
InChIInChI=1S/C24H21F2N3O3/c25-17-3-1-16(2-4-17)23(30)27-22-10-9-20(15-21(22)24(31)32)29-13-11-28(12-14-29)19-7-5-18(26)6-8-19/h1-10,15H,11-14H2,(H,27,30)(H,31,32)
InChIKeyVPVMKOKEUYWEMT-UHFFFAOYSA-N
MW437.45 g/mol
LogP4.24
Rot. Bonds5

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

2-[(4-fluorobenzoyl)amino]-5-[4-(4-fluorophenyl)piperazin-1-yl]benzoic acid (PubChem CID 50782097) has the molecular formula C24H21F2N3O3 and a molecular weight of 437.45 g/mol. Its IUPAC name is 2-[(4-fluorobenzoyl)amino]-5-[4-(4-fluorophenyl)piperazin-1-yl]benzoic acid.

Molecular Properties

Compound Name2-[(4-fluorobenzoyl)amino]-5-[4-(4-fluorophenyl)piperazin-1-yl]benzoic acid
PubChem CID50782097
Molecular FormulaC24H21F2N3O3
Molecular Weight437.45 g/mol
Exact Mass437.16
IUPAC Name2-[(4-fluorobenzoyl)amino]-5-[4-(4-fluorophenyl)piperazin-1-yl]benzoic acid
SMILESO=C(Nc1ccc(N2CCN(c3ccc(F)cc3)CC2)cc1C(=O)O)c1ccc(F)cc1
InChIInChI=1S/C24H21F2N3O3/c25-17-3-1-16(2-4-17)23(30)27-22-10-9-20(15-21(22)24(31)32)29-13-11-28(12-14-29)19-7-5-18(26)6-8-19/h1-10,15H,11-14H2,(H,27,30)(H,31,32)
InChIKeyVPVMKOKEUYWEMT-UHFFFAOYSA-N
XLogP4.24
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.45
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-ethylpiperazin-1-yl)-2-[(4-fluorobenzoyl)amino]benzoic acid
CID 50782098
2-[(4-fluorobenzoyl)amino]-5-(4-methylpiperidin-1-yl)benzoic acid
CID 50782697
5-(4-carbamoylpiperidin-1-yl)-2-[(4-fluorobenzoyl)amino]benzoic acid
CID 50782723
2-[(4-fluorobenzoyl)amino]-5-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]benzoic acid
CID 50782033
2-[(4-fluorobenzoyl)amino]-5-[(3R)-3-methylpiperidin-1-yl]benzoic acid
CID 95054138
4-fluoro-N-[4-(4-phenylpiperazin-1-yl)phenyl]benzamide
CID 112983940
2-[(4-methylbenzoyl)amino]-5-(4-propylpiperazin-1-yl)benzoic acid
CID 50782003
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-bromobenzoyl)amino]-5-(4-propylpiperazin-1-yl)benzoic acid
CID 50782463
N-(2,4-difluorophenyl)-4-morpholin-4-ylbenzamide
CID 53282259
N-(2,4-difluorophenyl)-4-(4-propan-2-ylpiperazin-1-yl)benzamide
CID 48732675

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorobenzoyl)amino]-5-[4-(4-fluorophenyl)piperazin-1-yl]benzoic acid?
The IUPAC name of 2-[(4-fluorobenzoyl)amino]-5-[4-(4-fluorophenyl)piperazin-1-yl]benzoic acid (CID 50782097) is 2-[(4-fluorobenzoyl)amino]-5-[4-(4-fluorophenyl)piperazin-1-yl]benzoic acid.
What is the SMILES notation for 2-[(4-fluorobenzoyl)amino]-5-[4-(4-fluorophenyl)piperazin-1-yl]benzoic acid?
The canonical SMILES for 2-[(4-fluorobenzoyl)amino]-5-[4-(4-fluorophenyl)piperazin-1-yl]benzoic acid is O=C(Nc1ccc(N2CCN(c3ccc(F)cc3)CC2)cc1C(=O)O)c1ccc(F)cc1.
What is the InChIKey of 2-[(4-fluorobenzoyl)amino]-5-[4-(4-fluorophenyl)piperazin-1-yl]benzoic acid?
The InChIKey is VPVMKOKEUYWEMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F2N3O3/c25-17-3-1-16(2-4-17)23(30)27-22-10-9-20(15-21(22)24(31)32)29-13-11-28(12-14-29)19-7-5-18(26)6-8-19/h1-10,15H,11-14H2,(H,27,30)(H,31,32).
What are the key properties of 2-[(4-fluorobenzoyl)amino]-5-[4-(4-fluorophenyl)piperazin-1-yl]benzoic acid?
2-[(4-fluorobenzoyl)amino]-5-[4-(4-fluorophenyl)piperazin-1-yl]benzoic acid has a molecular weight of 437.45 g/mol, XLogP of 4.24, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorobenzoyl)amino]-5-[4-(4-fluorophenyl)piperazin-1-yl]benzoic acid is sourced from PubChem (CID 50782097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).