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

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Related Compounds

N-(1-acetyl-2,3-dihydroindol-5-yl)-2,4-difluoro-6-hydroxybenzamide
CID 71936135
2-chloro-6-fluoro-N-[3-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]benzamide;dihydrochloride
CID 66939187
N-(2,3-dihydro-1H-inden-5-yl)-2,4-difluoro-6-hydroxybenzamide
CID 60598957
2,4-difluoro-N-[4-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]benzenesulfonamide
CID 166200999
1-N,4-N-dimethyl-4-N-(1-methylpiperidin-4-yl)benzene-1,4-diamine
CID 117041410
2,4,6-trifluoro-N-[4-(1-hydroxyethyl)phenyl]benzamide
CID 65100671
3-fluoro-5-[methyl-(1-methylpiperidin-4-yl)amino]benzoic acid
CID 82537873
6-bromo-N-[4-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]-2H-benzotriazole-4-carboxamide
CID 166180129
3-[4-(dimethylamino)phenyl]-1-methyl-1-(1-methylpiperidin-4-yl)urea
CID 108894718
2,4-difluoro-6-hydroxy-N-[4-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 71883389
2-methyl-N-[4-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]imidazo[1,2-a]pyrazine-8-carboxamide
CID 166228678
2-fluoro-N-[4-[methyl-(1-methylpiperidin-4-yl)sulfamoyl]phenyl]benzamide
CID 8781350

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).