4-(4-cyclohexylpiperazin-1-yl)-3-[(2-fluorobenzoyl)amino]benzoic acid

C24H28FN3O3 — CID 46285283

IUPAC4-(4-cyclohexylpiperazin-1-yl)-3-[(2-fluorobenzoyl)amino]benzoic acid
SMILESO=C(O)c1ccc(N2CCN(C3CCCCC3)CC2)c(NC(=O)c2ccccc2F)c1
InChIInChI=1S/C24H28FN3O3/c25-20-9-5-4-8-19(20)23(29)26-21-16-17(24(30)31)10-11-22(21)28-14-12-27(13-15-28)18-6-2-1-3-7-18/h4-5,8-11,16,18H,1-3,6-7,12-15H2,(H,26,29)(H,30,31)
InChIKeyKQUCELBHDSFLGK-UHFFFAOYSA-N
MW425.50 g/mol
LogP4.23
Rot. Bonds5

About 4-(4-cyclohexylpiperazin-1-yl)-3-[(2-fluorobenzoyl)amino]benzoic acid

4-(4-cyclohexylpiperazin-1-yl)-3-[(2-fluorobenzoyl)amino]benzoic acid (PubChem CID 46285283) has the molecular formula C24H28FN3O3 and a molecular weight of 425.50 g/mol. Its IUPAC name is 4-(4-cyclohexylpiperazin-1-yl)-3-[(2-fluorobenzoyl)amino]benzoic acid.

Molecular Properties

Compound Name4-(4-cyclohexylpiperazin-1-yl)-3-[(2-fluorobenzoyl)amino]benzoic acid
PubChem CID46285283
Molecular FormulaC24H28FN3O3
Molecular Weight425.50 g/mol
Exact Mass425.21
IUPAC Name4-(4-cyclohexylpiperazin-1-yl)-3-[(2-fluorobenzoyl)amino]benzoic acid
SMILESO=C(O)c1ccc(N2CCN(C3CCCCC3)CC2)c(NC(=O)c2ccccc2F)c1
InChIInChI=1S/C24H28FN3O3/c25-20-9-5-4-8-19(20)23(29)26-21-16-17(24(30)31)10-11-22(21)28-14-12-27(13-15-28)18-6-2-1-3-7-18/h4-5,8-11,16,18H,1-3,6-7,12-15H2,(H,26,29)(H,30,31)
InChIKeyKQUCELBHDSFLGK-UHFFFAOYSA-N
XLogP4.23
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.50
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-fluorobenzoyl)amino]-4-morpholin-4-ylbenzoic acid
CID 53052916
4-(4-ethoxycarbonylpiperidin-1-yl)-3-[(2-fluorobenzoyl)amino]benzoic acid
CID 53052912
2-fluoro-N-(5-fluoro-2-piperidin-1-ylphenyl)benzamide
CID 113092591
4-[(3R)-3-ethoxycarbonylpiperidin-1-yl]-3-[(2-fluorobenzoyl)amino]benzoic acid
CID 95064018
4-(4-cyclopropylpiperazin-1-yl)-3-fluorobenzoic acid
CID 61441707
2-fluoro-N-[5-(morpholine-4-carbonyl)-2-pyrrolidin-1-ylphenyl]benzamide
CID 3953635
4-(4-piperidin-1-ylpiperidin-1-yl)-3-(propanoylamino)benzoic acid
CID 83281371
3-[(2-chlorobenzoyl)amino]-4-(4-methylpiperazin-1-yl)benzoic acid
CID 46285198
2-fluoro-N-[2-(4-hydroxypiperidin-1-yl)phenyl]benzamide
CID 110900198
3-[(2-methylbenzoyl)amino]-4-(4-methylpiperidin-1-yl)benzoic acid;2,2,2-trifluoroacetic acid
CID 146053611
4-(4-cyclohexylpiperazin-1-yl)-3-[(3,4-dimethylphenyl)sulfonylamino]benzoic acid
CID 46291824
4-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-[(2-methylbenzoyl)amino]benzoic acid
CID 46285303

Frequently Asked Questions

What is the IUPAC name of 4-(4-cyclohexylpiperazin-1-yl)-3-[(2-fluorobenzoyl)amino]benzoic acid?
The IUPAC name of 4-(4-cyclohexylpiperazin-1-yl)-3-[(2-fluorobenzoyl)amino]benzoic acid (CID 46285283) is 4-(4-cyclohexylpiperazin-1-yl)-3-[(2-fluorobenzoyl)amino]benzoic acid.
What is the SMILES notation for 4-(4-cyclohexylpiperazin-1-yl)-3-[(2-fluorobenzoyl)amino]benzoic acid?
The canonical SMILES for 4-(4-cyclohexylpiperazin-1-yl)-3-[(2-fluorobenzoyl)amino]benzoic acid is O=C(O)c1ccc(N2CCN(C3CCCCC3)CC2)c(NC(=O)c2ccccc2F)c1.
What is the InChIKey of 4-(4-cyclohexylpiperazin-1-yl)-3-[(2-fluorobenzoyl)amino]benzoic acid?
The InChIKey is KQUCELBHDSFLGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN3O3/c25-20-9-5-4-8-19(20)23(29)26-21-16-17(24(30)31)10-11-22(21)28-14-12-27(13-15-28)18-6-2-1-3-7-18/h4-5,8-11,16,18H,1-3,6-7,12-15H2,(H,26,29)(H,30,31).
What are the key properties of 4-(4-cyclohexylpiperazin-1-yl)-3-[(2-fluorobenzoyl)amino]benzoic acid?
4-(4-cyclohexylpiperazin-1-yl)-3-[(2-fluorobenzoyl)amino]benzoic acid has a molecular weight of 425.50 g/mol, XLogP of 4.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyclohexylpiperazin-1-yl)-3-[(2-fluorobenzoyl)amino]benzoic acid is sourced from PubChem (CID 46285283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).