2,4-difluoro-6-hydroxy-N-[4-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]benzamide

C20H23F2N3O2 — CID 71883384

IUPAC2,4-difluoro-6-hydroxy-N-[4-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]benzamide
SMILESCN1CCC(N(C)c2ccc(NC(=O)c3c(O)cc(F)cc3F)cc2)CC1
InChIInChI=1S/C20H23F2N3O2/c1-24-9-7-16(8-10-24)25(2)15-5-3-14(4-6-15)23-20(27)19-17(22)11-13(21)12-18(19)26/h3-6,11-12,16,26H,7-10H2,1-2H3,(H,23,27)
InChIKeyYRRGNLOYEACEAI-UHFFFAOYSA-N
MW375.42 g/mol
LogP3.45
Rot. Bonds4

About 2,4-difluoro-6-hydroxy-N-[4-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]benzamide

2,4-difluoro-6-hydroxy-N-[4-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]benzamide (PubChem CID 71883384) has the molecular formula C20H23F2N3O2 and a molecular weight of 375.42 g/mol. Its IUPAC name is 2,4-difluoro-6-hydroxy-N-[4-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]benzamide.

Molecular Properties

Compound Name2,4-difluoro-6-hydroxy-N-[4-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]benzamide
PubChem CID71883384
Molecular FormulaC20H23F2N3O2
Molecular Weight375.42 g/mol
Exact Mass375.18
IUPAC Name2,4-difluoro-6-hydroxy-N-[4-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]benzamide
SMILESCN1CCC(N(C)c2ccc(NC(=O)c3c(O)cc(F)cc3F)cc2)CC1
InChIInChI=1S/C20H23F2N3O2/c1-24-9-7-16(8-10-24)25(2)15-5-3-14(4-6-15)23-20(27)19-17(22)11-13(21)12-18(19)26/h3-6,11-12,16,26H,7-10H2,1-2H3,(H,23,27)
InChIKeyYRRGNLOYEACEAI-UHFFFAOYSA-N
XLogP3.45
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.42
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2,4-difluoro-6-hydroxy-N-[4-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]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 2,4-difluoro-6-hydroxy-N-[4-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]benzamide?
The IUPAC name of 2,4-difluoro-6-hydroxy-N-[4-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]benzamide (CID 71883384) is 2,4-difluoro-6-hydroxy-N-[4-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]benzamide.
What is the SMILES notation for 2,4-difluoro-6-hydroxy-N-[4-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]benzamide?
The canonical SMILES for 2,4-difluoro-6-hydroxy-N-[4-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]benzamide is CN1CCC(N(C)c2ccc(NC(=O)c3c(O)cc(F)cc3F)cc2)CC1.
What is the InChIKey of 2,4-difluoro-6-hydroxy-N-[4-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]benzamide?
The InChIKey is YRRGNLOYEACEAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F2N3O2/c1-24-9-7-16(8-10-24)25(2)15-5-3-14(4-6-15)23-20(27)19-17(22)11-13(21)12-18(19)26/h3-6,11-12,16,26H,7-10H2,1-2H3,(H,23,27).
What are the key properties of 2,4-difluoro-6-hydroxy-N-[4-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]benzamide?
2,4-difluoro-6-hydroxy-N-[4-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]benzamide has a molecular weight of 375.42 g/mol, XLogP of 3.45, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-6-hydroxy-N-[4-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]benzamide is sourced from PubChem (CID 71883384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).