N-(3-fluoro-2-methylphenyl)-2,5-dihydroxybenzamide

C14H12FNO3 — CID 103892630

IUPACN-(3-fluoro-2-methylphenyl)-2,5-dihydroxybenzamide
SMILESCc1c(F)cccc1NC(=O)c1cc(O)ccc1O
InChIInChI=1S/C14H12FNO3/c1-8-11(15)3-2-4-12(8)16-14(19)10-7-9(17)5-6-13(10)18/h2-7,17-18H,1H3,(H,16,19)
InChIKeyQQHVSTMIEGXZKK-UHFFFAOYSA-N
MW261.25 g/mol
LogP2.80
Rot. Bonds2

About N-(3-fluoro-2-methylphenyl)-2,5-dihydroxybenzamide

N-(3-fluoro-2-methylphenyl)-2,5-dihydroxybenzamide (PubChem CID 103892630) has the molecular formula C14H12FNO3 and a molecular weight of 261.25 g/mol. Its IUPAC name is N-(3-fluoro-2-methylphenyl)-2,5-dihydroxybenzamide.

Molecular Properties

Compound NameN-(3-fluoro-2-methylphenyl)-2,5-dihydroxybenzamide
PubChem CID103892630
Molecular FormulaC14H12FNO3
Molecular Weight261.25 g/mol
Exact Mass261.08
IUPAC NameN-(3-fluoro-2-methylphenyl)-2,5-dihydroxybenzamide
SMILESCc1c(F)cccc1NC(=O)c1cc(O)ccc1O
InChIInChI=1S/C14H12FNO3/c1-8-11(15)3-2-4-12(8)16-14(19)10-7-9(17)5-6-13(10)18/h2-7,17-18H,1H3,(H,16,19)
InChIKeyQQHVSTMIEGXZKK-UHFFFAOYSA-N
XLogP2.80
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.25
LogP ≤ 52.80
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

N-(2-carbamothioyl-3-fluorophenyl)-2,5-dihydroxybenzamide
CID 107722046
3-[(5-fluoro-2-hydroxybenzoyl)amino]-2-methylbenzoic acid
CID 115298503
2,5-dihydroxy-N-(2,3,4-trifluorophenyl)benzamide
CID 107722274
N-(2,6-difluoro-3-methylphenyl)-2,5-dihydroxybenzamide
CID 107723516
2-bromo-N-(3-fluoro-2-methylphenyl)-5-methylbenzamide
CID 81002497
2,5-dihydroxy-N-(2-propan-2-ylphenyl)benzamide
CID 103891803
2-fluoro-N-(3-hydroxy-2-methylphenyl)-5-methylbenzamide
CID 64794363
N-(2-tert-butylphenyl)-2,5-dihydroxybenzamide
CID 107723124
2,4-dihydroxy-N-(3-iodo-2-methylphenyl)benzamide
CID 113368797
3-bromo-2-fluoro-N-(3-fluoro-2-methylphenyl)benzamide
CID 106544652
N-(2-fluoro-4-hydroxyphenyl)-2-hydroxy-5-methoxybenzamide
CID 64794044
2-fluoro-6-hydroxy-N-(3-hydroxy-2-methylphenyl)benzamide
CID 107015430

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-2-methylphenyl)-2,5-dihydroxybenzamide?
The IUPAC name of N-(3-fluoro-2-methylphenyl)-2,5-dihydroxybenzamide (CID 103892630) is N-(3-fluoro-2-methylphenyl)-2,5-dihydroxybenzamide.
What is the SMILES notation for N-(3-fluoro-2-methylphenyl)-2,5-dihydroxybenzamide?
The canonical SMILES for N-(3-fluoro-2-methylphenyl)-2,5-dihydroxybenzamide is Cc1c(F)cccc1NC(=O)c1cc(O)ccc1O.
What is the InChIKey of N-(3-fluoro-2-methylphenyl)-2,5-dihydroxybenzamide?
The InChIKey is QQHVSTMIEGXZKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO3/c1-8-11(15)3-2-4-12(8)16-14(19)10-7-9(17)5-6-13(10)18/h2-7,17-18H,1H3,(H,16,19).
What are the key properties of N-(3-fluoro-2-methylphenyl)-2,5-dihydroxybenzamide?
N-(3-fluoro-2-methylphenyl)-2,5-dihydroxybenzamide has a molecular weight of 261.25 g/mol, XLogP of 2.80, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-2-methylphenyl)-2,5-dihydroxybenzamide is sourced from PubChem (CID 103892630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).