4-[(3,5-difluorobenzoyl)amino]-2-hydroxy-N-(1-methylpyrazol-3-yl)benzamide

C18H14F2N4O3 — CID 47070769

IUPAC4-[(3,5-difluorobenzoyl)amino]-2-hydroxy-N-(1-methylpyrazol-3-yl)benzamide
SMILESCn1ccc(NC(=O)c2ccc(NC(=O)c3cc(F)cc(F)c3)cc2O)n1
InChIInChI=1S/C18H14F2N4O3/c1-24-5-4-16(23-24)22-18(27)14-3-2-13(9-15(14)25)21-17(26)10-6-11(19)8-12(20)7-10/h2-9,25H,1H3,(H,21,26)(H,22,23,27)
InChIKeyHEORREKUNPXMSE-UHFFFAOYSA-N
MW372.33 g/mol
LogP2.91
Rot. Bonds4

About 4-[(3,5-difluorobenzoyl)amino]-2-hydroxy-N-(1-methylpyrazol-3-yl)benzamide

4-[(3,5-difluorobenzoyl)amino]-2-hydroxy-N-(1-methylpyrazol-3-yl)benzamide (PubChem CID 47070769) has the molecular formula C18H14F2N4O3 and a molecular weight of 372.33 g/mol. Its IUPAC name is 4-[(3,5-difluorobenzoyl)amino]-2-hydroxy-N-(1-methylpyrazol-3-yl)benzamide.

Molecular Properties

Compound Name4-[(3,5-difluorobenzoyl)amino]-2-hydroxy-N-(1-methylpyrazol-3-yl)benzamide
PubChem CID47070769
Molecular FormulaC18H14F2N4O3
Molecular Weight372.33 g/mol
Exact Mass372.10
IUPAC Name4-[(3,5-difluorobenzoyl)amino]-2-hydroxy-N-(1-methylpyrazol-3-yl)benzamide
SMILESCn1ccc(NC(=O)c2ccc(NC(=O)c3cc(F)cc(F)c3)cc2O)n1
InChIInChI=1S/C18H14F2N4O3/c1-24-5-4-16(23-24)22-18(27)14-3-2-13(9-15(14)25)21-17(26)10-6-11(19)8-12(20)7-10/h2-9,25H,1H3,(H,21,26)(H,22,23,27)
InChIKeyHEORREKUNPXMSE-UHFFFAOYSA-N
XLogP2.91
TPSA96.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.33
LogP ≤ 52.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-[(3,5-difluorobenzoyl)amino]-2-hydroxy-N-(1-methylpyrazol-3-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-difluorobenzoyl)amino]-2-hydroxy-N-(1-methylpyrazol-3-yl)benzamide?
The IUPAC name of 4-[(3,5-difluorobenzoyl)amino]-2-hydroxy-N-(1-methylpyrazol-3-yl)benzamide (CID 47070769) is 4-[(3,5-difluorobenzoyl)amino]-2-hydroxy-N-(1-methylpyrazol-3-yl)benzamide.
What is the SMILES notation for 4-[(3,5-difluorobenzoyl)amino]-2-hydroxy-N-(1-methylpyrazol-3-yl)benzamide?
The canonical SMILES for 4-[(3,5-difluorobenzoyl)amino]-2-hydroxy-N-(1-methylpyrazol-3-yl)benzamide is Cn1ccc(NC(=O)c2ccc(NC(=O)c3cc(F)cc(F)c3)cc2O)n1.
What is the InChIKey of 4-[(3,5-difluorobenzoyl)amino]-2-hydroxy-N-(1-methylpyrazol-3-yl)benzamide?
The InChIKey is HEORREKUNPXMSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2N4O3/c1-24-5-4-16(23-24)22-18(27)14-3-2-13(9-15(14)25)21-17(26)10-6-11(19)8-12(20)7-10/h2-9,25H,1H3,(H,21,26)(H,22,23,27).
What are the key properties of 4-[(3,5-difluorobenzoyl)amino]-2-hydroxy-N-(1-methylpyrazol-3-yl)benzamide?
4-[(3,5-difluorobenzoyl)amino]-2-hydroxy-N-(1-methylpyrazol-3-yl)benzamide has a molecular weight of 372.33 g/mol, XLogP of 2.91, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-difluorobenzoyl)amino]-2-hydroxy-N-(1-methylpyrazol-3-yl)benzamide is sourced from PubChem (CID 47070769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).