2-fluoro-4-hydroxy-N-(3-hydroxyphenyl)-N-methylbenzamide

C14H12FNO3 — CID 107735649

IUPAC2-fluoro-4-hydroxy-N-(3-hydroxyphenyl)-N-methylbenzamide
SMILESCN(C(=O)c1ccc(O)cc1F)c1cccc(O)c1
InChIInChI=1S/C14H12FNO3/c1-16(9-3-2-4-10(17)7-9)14(19)12-6-5-11(18)8-13(12)15/h2-8,17-18H,1H3
InChIKeySQXZQMUIYPHSOH-UHFFFAOYSA-N
MW261.25 g/mol
LogP2.51
Rot. Bonds2

About 2-fluoro-4-hydroxy-N-(3-hydroxyphenyl)-N-methylbenzamide

2-fluoro-4-hydroxy-N-(3-hydroxyphenyl)-N-methylbenzamide (PubChem CID 107735649) has the molecular formula C14H12FNO3 and a molecular weight of 261.25 g/mol. Its IUPAC name is 2-fluoro-4-hydroxy-N-(3-hydroxyphenyl)-N-methylbenzamide.

Molecular Properties

Compound Name2-fluoro-4-hydroxy-N-(3-hydroxyphenyl)-N-methylbenzamide
PubChem CID107735649
Molecular FormulaC14H12FNO3
Molecular Weight261.25 g/mol
Exact Mass261.08
IUPAC Name2-fluoro-4-hydroxy-N-(3-hydroxyphenyl)-N-methylbenzamide
SMILESCN(C(=O)c1ccc(O)cc1F)c1cccc(O)c1
InChIInChI=1S/C14H12FNO3/c1-16(9-3-2-4-10(17)7-9)14(19)12-6-5-11(18)8-13(12)15/h2-8,17-18H,1H3
InChIKeySQXZQMUIYPHSOH-UHFFFAOYSA-N
XLogP2.51
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.25
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-4-fluoro-N-(3-hydroxyphenyl)-N-methylbenzamide
CID 107733131
2-amino-5-hydroxy-N-(3-hydroxyphenyl)-N-methylbenzamide
CID 107733144
3,4-difluoro-N-(3-hydroxyphenyl)-N-methylbenzamide
CID 107735801
4-chloro-2-fluoro-N-methyl-N-phenylbenzamide
CID 56919945
4-chloro-N-(3-hydroxyphenyl)-2-methoxy-N-methylbenzamide
CID 107735909
4-amino-2-fluoro-N-methyl-N-(3-methylphenyl)benzamide
CID 62002180
2-amino-N-(3-fluorophenyl)-5-hydroxy-N-methylbenzamide
CID 107075081
3,5-dihydroxy-N-(3-hydroxyphenyl)-N-methylbenzamide
CID 107735650
2,5-dibromo-N-(3-hydroxyphenyl)-N-methylthiophene-3-carboxamide
CID 114021335
2-fluoro-N-(3-fluorophenyl)-4-methoxy-N-methylbenzamide
CID 103774616
(3-hydroxyphenyl)-methylcarbamic acid
CID 20544632
N-(3-hydroxyphenyl)-N-methyl-4-methylsulfanylbenzamide
CID 107736061

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-hydroxy-N-(3-hydroxyphenyl)-N-methylbenzamide?
The IUPAC name of 2-fluoro-4-hydroxy-N-(3-hydroxyphenyl)-N-methylbenzamide (CID 107735649) is 2-fluoro-4-hydroxy-N-(3-hydroxyphenyl)-N-methylbenzamide.
What is the SMILES notation for 2-fluoro-4-hydroxy-N-(3-hydroxyphenyl)-N-methylbenzamide?
The canonical SMILES for 2-fluoro-4-hydroxy-N-(3-hydroxyphenyl)-N-methylbenzamide is CN(C(=O)c1ccc(O)cc1F)c1cccc(O)c1.
What is the InChIKey of 2-fluoro-4-hydroxy-N-(3-hydroxyphenyl)-N-methylbenzamide?
The InChIKey is SQXZQMUIYPHSOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO3/c1-16(9-3-2-4-10(17)7-9)14(19)12-6-5-11(18)8-13(12)15/h2-8,17-18H,1H3.
What are the key properties of 2-fluoro-4-hydroxy-N-(3-hydroxyphenyl)-N-methylbenzamide?
2-fluoro-4-hydroxy-N-(3-hydroxyphenyl)-N-methylbenzamide has a molecular weight of 261.25 g/mol, XLogP of 2.51, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-hydroxy-N-(3-hydroxyphenyl)-N-methylbenzamide is sourced from PubChem (CID 107735649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).