4-[(2-fluoro-6-hydroxy-3-methoxyphenyl)-hydroxymethyl]benzamide

C15H14FNO4 — CID 142582976

IUPAC4-[(2-fluoro-6-hydroxy-3-methoxyphenyl)-hydroxymethyl]benzamide
SMILESCOc1ccc(O)c(C(O)c2ccc(C(N)=O)cc2)c1F
InChIInChI=1S/C15H14FNO4/c1-21-11-7-6-10(18)12(13(11)16)14(19)8-2-4-9(5-3-8)15(17)20/h2-7,14,18-19H,1H3,(H2,17,20)
InChIKeyLCWDHNXVPDOKHG-UHFFFAOYSA-N
MW291.28 g/mol
LogP1.72
Rot. Bonds4

About 4-[(2-fluoro-6-hydroxy-3-methoxyphenyl)-hydroxymethyl]benzamide

4-[(2-fluoro-6-hydroxy-3-methoxyphenyl)-hydroxymethyl]benzamide (PubChem CID 142582976) has the molecular formula C15H14FNO4 and a molecular weight of 291.28 g/mol. Its IUPAC name is 4-[(2-fluoro-6-hydroxy-3-methoxyphenyl)-hydroxymethyl]benzamide.

Molecular Properties

Compound Name4-[(2-fluoro-6-hydroxy-3-methoxyphenyl)-hydroxymethyl]benzamide
PubChem CID142582976
Molecular FormulaC15H14FNO4
Molecular Weight291.28 g/mol
Exact Mass291.09
IUPAC Name4-[(2-fluoro-6-hydroxy-3-methoxyphenyl)-hydroxymethyl]benzamide
SMILESCOc1ccc(O)c(C(O)c2ccc(C(N)=O)cc2)c1F
InChIInChI=1S/C15H14FNO4/c1-21-11-7-6-10(18)12(13(11)16)14(19)8-2-4-9(5-3-8)15(17)20/h2-7,14,18-19H,1H3,(H2,17,20)
InChIKeyLCWDHNXVPDOKHG-UHFFFAOYSA-N
XLogP1.72
TPSA92.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.28
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-fluoro-6-hydroxy-3-methoxybenzoyl)benzamide
CID 141427147
2-amino-N-[(3R)-4-[[4-[(2-fluoro-6-hydroxy-3-methoxyphenyl)-hydroxymethyl]benzoyl]amino]pyrrolidin-3-yl]pyrimidine-4-carboxamide
CID 142582870
2-(3-amino-1-hydroxypropyl)-3-fluoro-4-methoxyphenol
CID 84783831
2-(1-amino-2-hydroxyethyl)-3-fluoro-4-methoxyphenol
CID 84776111
3-(difluoromethoxy)-4-methoxybenzamide
CID 47245743
ethyl 2-(2,6-difluoro-3-methoxyphenyl)-2-hydroxyacetate
CID 117367196
4-(3,4-dimethoxyphenyl)benzamide
CID 152593806
4-(1-hydroxyethyl)benzamide
CID 22716490
2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)acetamide
CID 22339410
4-[(1R,2S)-1-amino-2-hydroxypropyl]benzamide
CID 131145263
2-(3-fluoro-4-methoxyphenyl)-2-hydroxyacetamide
CID 65101692
2-amino-3-(2-fluoro-6-hydroxy-3-methoxyphenyl)propanoic acid
CID 84792577

Frequently Asked Questions

What is the IUPAC name of 4-[(2-fluoro-6-hydroxy-3-methoxyphenyl)-hydroxymethyl]benzamide?
The IUPAC name of 4-[(2-fluoro-6-hydroxy-3-methoxyphenyl)-hydroxymethyl]benzamide (CID 142582976) is 4-[(2-fluoro-6-hydroxy-3-methoxyphenyl)-hydroxymethyl]benzamide.
What is the SMILES notation for 4-[(2-fluoro-6-hydroxy-3-methoxyphenyl)-hydroxymethyl]benzamide?
The canonical SMILES for 4-[(2-fluoro-6-hydroxy-3-methoxyphenyl)-hydroxymethyl]benzamide is COc1ccc(O)c(C(O)c2ccc(C(N)=O)cc2)c1F.
What is the InChIKey of 4-[(2-fluoro-6-hydroxy-3-methoxyphenyl)-hydroxymethyl]benzamide?
The InChIKey is LCWDHNXVPDOKHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO4/c1-21-11-7-6-10(18)12(13(11)16)14(19)8-2-4-9(5-3-8)15(17)20/h2-7,14,18-19H,1H3,(H2,17,20).
What are the key properties of 4-[(2-fluoro-6-hydroxy-3-methoxyphenyl)-hydroxymethyl]benzamide?
4-[(2-fluoro-6-hydroxy-3-methoxyphenyl)-hydroxymethyl]benzamide has a molecular weight of 291.28 g/mol, XLogP of 1.72, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-fluoro-6-hydroxy-3-methoxyphenyl)-hydroxymethyl]benzamide is sourced from PubChem (CID 142582976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).