N-(2,6-difluoro-3-methylphenyl)-2,5-dihydroxybenzamide

C14H11F2NO3 — CID 107723516

IUPACN-(2,6-difluoro-3-methylphenyl)-2,5-dihydroxybenzamide
SMILESCc1ccc(F)c(NC(=O)c2cc(O)ccc2O)c1F
InChIInChI=1S/C14H11F2NO3/c1-7-2-4-10(15)13(12(7)16)17-14(20)9-6-8(18)3-5-11(9)19/h2-6,18-19H,1H3,(H,17,20)
InChIKeyNLUBMQQLPYOGLU-UHFFFAOYSA-N
MW279.24 g/mol
LogP2.94
Rot. Bonds2

About N-(2,6-difluoro-3-methylphenyl)-2,5-dihydroxybenzamide

N-(2,6-difluoro-3-methylphenyl)-2,5-dihydroxybenzamide (PubChem CID 107723516) has the molecular formula C14H11F2NO3 and a molecular weight of 279.24 g/mol. Its IUPAC name is N-(2,6-difluoro-3-methylphenyl)-2,5-dihydroxybenzamide.

Molecular Properties

Compound NameN-(2,6-difluoro-3-methylphenyl)-2,5-dihydroxybenzamide
PubChem CID107723516
Molecular FormulaC14H11F2NO3
Molecular Weight279.24 g/mol
Exact Mass279.07
IUPAC NameN-(2,6-difluoro-3-methylphenyl)-2,5-dihydroxybenzamide
SMILESCc1ccc(F)c(NC(=O)c2cc(O)ccc2O)c1F
InChIInChI=1S/C14H11F2NO3/c1-7-2-4-10(15)13(12(7)16)17-14(20)9-6-8(18)3-5-11(9)19/h2-6,18-19H,1H3,(H,17,20)
InChIKeyNLUBMQQLPYOGLU-UHFFFAOYSA-N
XLogP2.94
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.24
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

5-bromo-N-(2,6-difluoro-3-methylphenyl)-2-hydroxybenzamide
CID 107729819
N-(2,6-difluoro-3-methylphenyl)-3-hydroxy-2-methylbenzamide
CID 82829913
2,5-dihydroxy-N-(2,3,4-trifluorophenyl)benzamide
CID 107722274
2-amino-N-(2,6-difluoro-3-methylphenyl)-5-methylbenzamide
CID 82816475
N-(3-fluoro-2-methylphenyl)-2,5-dihydroxybenzamide
CID 103892630
2-amino-N-(2,6-difluoro-3-methylphenyl)-5-methoxybenzamide
CID 82799632
N-(2,6-dibromo-4-methylphenyl)-2,5-dihydroxybenzamide
CID 107722300
2-amino-N-(2,6-difluoro-3-methylphenyl)-3-fluorobenzamide
CID 82818263
2-bromo-N-(2,6-difluoro-3-methylphenyl)-3-methylbenzamide
CID 107982586
N-(2,6-difluoro-3-methylphenyl)benzamide
CID 82819371
N-(2,6-difluoro-3-hydroxyphenyl)-2-fluoro-5-(3-fluorophenyl)-3-methylbenzamide
CID 89443818
5-bromo-N-(2,6-difluoro-3-hydroxyphenyl)-2-fluorobenzamide
CID 89443501

Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluoro-3-methylphenyl)-2,5-dihydroxybenzamide?
The IUPAC name of N-(2,6-difluoro-3-methylphenyl)-2,5-dihydroxybenzamide (CID 107723516) is N-(2,6-difluoro-3-methylphenyl)-2,5-dihydroxybenzamide.
What is the SMILES notation for N-(2,6-difluoro-3-methylphenyl)-2,5-dihydroxybenzamide?
The canonical SMILES for N-(2,6-difluoro-3-methylphenyl)-2,5-dihydroxybenzamide is Cc1ccc(F)c(NC(=O)c2cc(O)ccc2O)c1F.
What is the InChIKey of N-(2,6-difluoro-3-methylphenyl)-2,5-dihydroxybenzamide?
The InChIKey is NLUBMQQLPYOGLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2NO3/c1-7-2-4-10(15)13(12(7)16)17-14(20)9-6-8(18)3-5-11(9)19/h2-6,18-19H,1H3,(H,17,20).
What are the key properties of N-(2,6-difluoro-3-methylphenyl)-2,5-dihydroxybenzamide?
N-(2,6-difluoro-3-methylphenyl)-2,5-dihydroxybenzamide has a molecular weight of 279.24 g/mol, XLogP of 2.94, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluoro-3-methylphenyl)-2,5-dihydroxybenzamide is sourced from PubChem (CID 107723516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).