2,4-difluoro-6-hydroxy-N-[4-(oxolan-2-ylmethoxy)phenyl]benzamide

C18H17F2NO4 — CID 71883389

IUPAC2,4-difluoro-6-hydroxy-N-[4-(oxolan-2-ylmethoxy)phenyl]benzamide
SMILESO=C(Nc1ccc(OCC2CCCO2)cc1)c1c(O)cc(F)cc1F
InChIInChI=1S/C18H17F2NO4/c19-11-8-15(20)17(16(22)9-11)18(23)21-12-3-5-13(6-4-12)25-10-14-2-1-7-24-14/h3-6,8-9,14,22H,1-2,7,10H2,(H,21,23)
InChIKeyKQXBYQHADFOXMD-UHFFFAOYSA-N
MW349.33 g/mol
LogP3.48
Rot. Bonds5

About 2,4-difluoro-6-hydroxy-N-[4-(oxolan-2-ylmethoxy)phenyl]benzamide

2,4-difluoro-6-hydroxy-N-[4-(oxolan-2-ylmethoxy)phenyl]benzamide (PubChem CID 71883389) has the molecular formula C18H17F2NO4 and a molecular weight of 349.33 g/mol. Its IUPAC name is 2,4-difluoro-6-hydroxy-N-[4-(oxolan-2-ylmethoxy)phenyl]benzamide.

Molecular Properties

Compound Name2,4-difluoro-6-hydroxy-N-[4-(oxolan-2-ylmethoxy)phenyl]benzamide
PubChem CID71883389
Molecular FormulaC18H17F2NO4
Molecular Weight349.33 g/mol
Exact Mass349.11
IUPAC Name2,4-difluoro-6-hydroxy-N-[4-(oxolan-2-ylmethoxy)phenyl]benzamide
SMILESO=C(Nc1ccc(OCC2CCCO2)cc1)c1c(O)cc(F)cc1F
InChIInChI=1S/C18H17F2NO4/c19-11-8-15(20)17(16(22)9-11)18(23)21-12-3-5-13(6-4-12)25-10-14-2-1-7-24-14/h3-6,8-9,14,22H,1-2,7,10H2,(H,21,23)
InChIKeyKQXBYQHADFOXMD-UHFFFAOYSA-N
XLogP3.48
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.33
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-N-[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]benzamide
CID 42427188
2,3,5-trichloro-6-hydroxy-N-[4-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 112843659
1,3-bis[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]urea
CID 41436663
4-[[4-(oxolan-2-ylmethoxy)benzoyl]amino]benzamide
CID 4786441
N-[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]pyridine-4-carboxamide
CID 7447165
2,4-difluoro-6-hydroxy-N-[3-(oxan-2-ylmethoxymethyl)phenyl]benzamide
CID 71883387
N-(4-acetamidophenyl)-4-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 40642293
4-methyl-N-[4-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 4957909
4-[[(2S)-oxolan-2-yl]methoxy]-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 7987635
3-[[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]carbamoyl]benzoic acid
CID 129465786
4-(oxolan-2-ylmethoxy)-N-[4-(2,2,2-trifluoroethoxy)phenyl]benzamide
CID 16580872
4-(oxolan-2-ylmethoxy)-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 4795558

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-6-hydroxy-N-[4-(oxolan-2-ylmethoxy)phenyl]benzamide?
The IUPAC name of 2,4-difluoro-6-hydroxy-N-[4-(oxolan-2-ylmethoxy)phenyl]benzamide (CID 71883389) is 2,4-difluoro-6-hydroxy-N-[4-(oxolan-2-ylmethoxy)phenyl]benzamide.
What is the SMILES notation for 2,4-difluoro-6-hydroxy-N-[4-(oxolan-2-ylmethoxy)phenyl]benzamide?
The canonical SMILES for 2,4-difluoro-6-hydroxy-N-[4-(oxolan-2-ylmethoxy)phenyl]benzamide is O=C(Nc1ccc(OCC2CCCO2)cc1)c1c(O)cc(F)cc1F.
What is the InChIKey of 2,4-difluoro-6-hydroxy-N-[4-(oxolan-2-ylmethoxy)phenyl]benzamide?
The InChIKey is KQXBYQHADFOXMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2NO4/c19-11-8-15(20)17(16(22)9-11)18(23)21-12-3-5-13(6-4-12)25-10-14-2-1-7-24-14/h3-6,8-9,14,22H,1-2,7,10H2,(H,21,23).
What are the key properties of 2,4-difluoro-6-hydroxy-N-[4-(oxolan-2-ylmethoxy)phenyl]benzamide?
2,4-difluoro-6-hydroxy-N-[4-(oxolan-2-ylmethoxy)phenyl]benzamide has a molecular weight of 349.33 g/mol, XLogP of 3.48, 5 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-(oxolan-2-ylmethoxy)phenyl]benzamide is sourced from PubChem (CID 71883389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).