N-(3-fluoro-4-methoxyphenyl)-3,5-dihydroxybenzamide

C14H12FNO4 — CID 103892052

IUPACN-(3-fluoro-4-methoxyphenyl)-3,5-dihydroxybenzamide
SMILESCOc1ccc(NC(=O)c2cc(O)cc(O)c2)cc1F
InChIInChI=1S/C14H12FNO4/c1-20-13-3-2-9(6-12(13)15)16-14(19)8-4-10(17)7-11(18)5-8/h2-7,17-18H,1H3,(H,16,19)
InChIKeyIFYUPHFTVUFQMA-UHFFFAOYSA-N
MW277.25 g/mol
LogP2.50
Rot. Bonds3

About N-(3-fluoro-4-methoxyphenyl)-3,5-dihydroxybenzamide

N-(3-fluoro-4-methoxyphenyl)-3,5-dihydroxybenzamide (PubChem CID 103892052) has the molecular formula C14H12FNO4 and a molecular weight of 277.25 g/mol. Its IUPAC name is N-(3-fluoro-4-methoxyphenyl)-3,5-dihydroxybenzamide.

Molecular Properties

Compound NameN-(3-fluoro-4-methoxyphenyl)-3,5-dihydroxybenzamide
PubChem CID103892052
Molecular FormulaC14H12FNO4
Molecular Weight277.25 g/mol
Exact Mass277.08
IUPAC NameN-(3-fluoro-4-methoxyphenyl)-3,5-dihydroxybenzamide
SMILESCOc1ccc(NC(=O)c2cc(O)cc(O)c2)cc1F
InChIInChI=1S/C14H12FNO4/c1-20-13-3-2-9(6-12(13)15)16-14(19)8-4-10(17)7-11(18)5-8/h2-7,17-18H,1H3,(H,16,19)
InChIKeyIFYUPHFTVUFQMA-UHFFFAOYSA-N
XLogP2.50
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.25
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-fluoro-4-methoxyphenyl)-4-hydroxy-3-methylbenzamide
CID 103951806
4-amino-N-(3-fluoro-4-methoxyphenyl)-3-hydroxybenzamide
CID 107074051
N-(3-fluoro-4-methoxyphenyl)-2,6-dimethoxybenzamide
CID 110776470
N-(3-fluoro-4-hydroxyphenyl)-3,4-dimethoxybenzamide
CID 64781635
N-(4-fluoro-3-methylphenyl)-3,5-dihydroxybenzamide
CID 104938981
5-bromo-N-(3-fluoro-4-methoxyphenyl)thiophene-3-carboxamide
CID 43612160
N-(4-fluoro-3-methoxyphenyl)-4-hydroxybenzamide
CID 114840048
4-fluoro-N-(3-fluoro-4-methoxyphenyl)-2-hydroxybenzamide
CID 103829787
N-(4-aminophenyl)-3-fluoro-4-methoxybenzamide
CID 55125214
N-(3-fluoro-4-methoxyphenyl)-2-hydroxy-5-methylbenzamide
CID 43381005
N-(3-amino-4-methoxyphenyl)-3,4,5-trifluorobenzamide
CID 63186712
N-(4-fluorophenyl)-3,5-dihydroxybenzamide
CID 103891338

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-methoxyphenyl)-3,5-dihydroxybenzamide?
The IUPAC name of N-(3-fluoro-4-methoxyphenyl)-3,5-dihydroxybenzamide (CID 103892052) is N-(3-fluoro-4-methoxyphenyl)-3,5-dihydroxybenzamide.
What is the SMILES notation for N-(3-fluoro-4-methoxyphenyl)-3,5-dihydroxybenzamide?
The canonical SMILES for N-(3-fluoro-4-methoxyphenyl)-3,5-dihydroxybenzamide is COc1ccc(NC(=O)c2cc(O)cc(O)c2)cc1F.
What is the InChIKey of N-(3-fluoro-4-methoxyphenyl)-3,5-dihydroxybenzamide?
The InChIKey is IFYUPHFTVUFQMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO4/c1-20-13-3-2-9(6-12(13)15)16-14(19)8-4-10(17)7-11(18)5-8/h2-7,17-18H,1H3,(H,16,19).
What are the key properties of N-(3-fluoro-4-methoxyphenyl)-3,5-dihydroxybenzamide?
N-(3-fluoro-4-methoxyphenyl)-3,5-dihydroxybenzamide has a molecular weight of 277.25 g/mol, XLogP of 2.50, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-methoxyphenyl)-3,5-dihydroxybenzamide is sourced from PubChem (CID 103892052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).