2,4-difluoro-6-hydroxy-N-[(4-morpholin-4-ylphenyl)methyl]benzamide

C18H18F2N2O3 — CID 86861797

IUPAC2,4-difluoro-6-hydroxy-N-[(4-morpholin-4-ylphenyl)methyl]benzamide
SMILESO=C(NCc1ccc(N2CCOCC2)cc1)c1c(O)cc(F)cc1F
InChIInChI=1S/C18H18F2N2O3/c19-13-9-15(20)17(16(23)10-13)18(24)21-11-12-1-3-14(4-2-12)22-5-7-25-8-6-22/h1-4,9-10,23H,5-8,11H2,(H,21,24)
InChIKeyOOVXXJLGDHIKJH-UHFFFAOYSA-N
MW348.35 g/mol
LogP2.44
Rot. Bonds4

About 2,4-difluoro-6-hydroxy-N-[(4-morpholin-4-ylphenyl)methyl]benzamide

2,4-difluoro-6-hydroxy-N-[(4-morpholin-4-ylphenyl)methyl]benzamide (PubChem CID 86861797) has the molecular formula C18H18F2N2O3 and a molecular weight of 348.35 g/mol. Its IUPAC name is 2,4-difluoro-6-hydroxy-N-[(4-morpholin-4-ylphenyl)methyl]benzamide.

Molecular Properties

Compound Name2,4-difluoro-6-hydroxy-N-[(4-morpholin-4-ylphenyl)methyl]benzamide
PubChem CID86861797
Molecular FormulaC18H18F2N2O3
Molecular Weight348.35 g/mol
Exact Mass348.13
IUPAC Name2,4-difluoro-6-hydroxy-N-[(4-morpholin-4-ylphenyl)methyl]benzamide
SMILESO=C(NCc1ccc(N2CCOCC2)cc1)c1c(O)cc(F)cc1F
InChIInChI=1S/C18H18F2N2O3/c19-13-9-15(20)17(16(23)10-13)18(24)21-11-12-1-3-14(4-2-12)22-5-7-25-8-6-22/h1-4,9-10,23H,5-8,11H2,(H,21,24)
InChIKeyOOVXXJLGDHIKJH-UHFFFAOYSA-N
XLogP2.44
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.35
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

(4-morpholin-4-ylphenyl)methylurea
CID 142276122
2-hydroxy-3,4-dimethyl-N-[(4-morpholin-4-ylphenyl)methyl]benzamide
CID 86830423
3-bromo-N-[(4-morpholin-4-ylphenyl)methyl]benzamide
CID 110405123
3-iodo-N-[(4-morpholin-4-ylphenyl)methyl]benzamide
CID 95130808
1-[[4-(dimethylamino)-3-fluorophenyl]methyl]-3-[(4-morpholin-4-ylphenyl)methyl]urea
CID 86870833
N-[(4-fluorophenyl)methyl]-3-hydroxy-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide
CID 54732406
N-[(4-bromophenyl)methyl]-2,4,6-trifluorobenzamide
CID 65099122
N-[(4-morpholin-4-ylphenyl)methyl]pyridine-3-carboxamide
CID 94249234
N-[(1-benzylpyrazol-4-yl)methyl]-2,4-difluoro-6-hydroxybenzamide
CID 86861715
(1R)-1-(2,4-difluorophenyl)-2-[(4-morpholin-4-ylphenyl)methylamino]ethanol
CID 95579560
9-chloro-N-[(4-fluorophenyl)methyl]-3-hydroxy-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide
CID 54729447
N-[(4-morpholin-4-ylphenyl)methyl]cyclohexanecarboxamide
CID 110405120

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-6-hydroxy-N-[(4-morpholin-4-ylphenyl)methyl]benzamide?
The IUPAC name of 2,4-difluoro-6-hydroxy-N-[(4-morpholin-4-ylphenyl)methyl]benzamide (CID 86861797) is 2,4-difluoro-6-hydroxy-N-[(4-morpholin-4-ylphenyl)methyl]benzamide.
What is the SMILES notation for 2,4-difluoro-6-hydroxy-N-[(4-morpholin-4-ylphenyl)methyl]benzamide?
The canonical SMILES for 2,4-difluoro-6-hydroxy-N-[(4-morpholin-4-ylphenyl)methyl]benzamide is O=C(NCc1ccc(N2CCOCC2)cc1)c1c(O)cc(F)cc1F.
What is the InChIKey of 2,4-difluoro-6-hydroxy-N-[(4-morpholin-4-ylphenyl)methyl]benzamide?
The InChIKey is OOVXXJLGDHIKJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N2O3/c19-13-9-15(20)17(16(23)10-13)18(24)21-11-12-1-3-14(4-2-12)22-5-7-25-8-6-22/h1-4,9-10,23H,5-8,11H2,(H,21,24).
What are the key properties of 2,4-difluoro-6-hydroxy-N-[(4-morpholin-4-ylphenyl)methyl]benzamide?
2,4-difluoro-6-hydroxy-N-[(4-morpholin-4-ylphenyl)methyl]benzamide has a molecular weight of 348.35 g/mol, XLogP of 2.44, 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-morpholin-4-ylphenyl)methyl]benzamide is sourced from PubChem (CID 86861797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).