N-(4-fluoro-2-methylphenyl)-3,5-dihydroxybenzamide

C14H12FNO3 — CID 103891547

IUPACN-(4-fluoro-2-methylphenyl)-3,5-dihydroxybenzamide
SMILESCc1cc(F)ccc1NC(=O)c1cc(O)cc(O)c1
InChIInChI=1S/C14H12FNO3/c1-8-4-10(15)2-3-13(8)16-14(19)9-5-11(17)7-12(18)6-9/h2-7,17-18H,1H3,(H,16,19)
InChIKeyPKGZZRDLRGWYGP-UHFFFAOYSA-N
MW261.25 g/mol
LogP2.80
Rot. Bonds2

About N-(4-fluoro-2-methylphenyl)-3,5-dihydroxybenzamide

N-(4-fluoro-2-methylphenyl)-3,5-dihydroxybenzamide (PubChem CID 103891547) has the molecular formula C14H12FNO3 and a molecular weight of 261.25 g/mol. Its IUPAC name is N-(4-fluoro-2-methylphenyl)-3,5-dihydroxybenzamide.

Molecular Properties

Compound NameN-(4-fluoro-2-methylphenyl)-3,5-dihydroxybenzamide
PubChem CID103891547
Molecular FormulaC14H12FNO3
Molecular Weight261.25 g/mol
Exact Mass261.08
IUPAC NameN-(4-fluoro-2-methylphenyl)-3,5-dihydroxybenzamide
SMILESCc1cc(F)ccc1NC(=O)c1cc(O)cc(O)c1
InChIInChI=1S/C14H12FNO3/c1-8-4-10(15)2-3-13(8)16-14(19)9-5-11(17)7-12(18)6-9/h2-7,17-18H,1H3,(H,16,19)
InChIKeyPKGZZRDLRGWYGP-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

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Related Compounds

N-(2,4-difluorophenyl)-3,5-dihydroxybenzamide
CID 103891425
N-(4-fluoro-2-methylphenyl)-4-iodobenzamide
CID 7980558
4-amino-N-(4-fluoro-2-methylphenyl)benzamide
CID 16781461
N-(4-fluoro-2-methylphenyl)naphthalene-2-carboxamide
CID 7751885
N-(4-fluoro-2-methylphenyl)-3-methylbenzamide
CID 2550656
3-[(4-fluoro-2-methylphenyl)carbamoyl]benzoic acid
CID 43452888
1-N,2-N-bis(4-fluoro-2-methylphenyl)benzene-1,2-dicarboxamide
CID 2811694
4-(bromomethyl)-N-(4-fluoro-2-methylphenyl)benzamide
CID 102850738
N-(2,5-difluoro-4-methylphenyl)-3,5-dihydroxybenzamide
CID 107704386
N-(4-bromo-5-fluoro-2-methylphenyl)-3,5-dihydroxybenzamide
CID 104889817
N-(4-fluoro-2-methylphenyl)-6-oxo-1H-pyridine-3-carboxamide
CID 8840517
1-(4-fluoro-2-methylphenyl)-3-iodourea
CID 135276363

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-2-methylphenyl)-3,5-dihydroxybenzamide?
The IUPAC name of N-(4-fluoro-2-methylphenyl)-3,5-dihydroxybenzamide (CID 103891547) is N-(4-fluoro-2-methylphenyl)-3,5-dihydroxybenzamide.
What is the SMILES notation for N-(4-fluoro-2-methylphenyl)-3,5-dihydroxybenzamide?
The canonical SMILES for N-(4-fluoro-2-methylphenyl)-3,5-dihydroxybenzamide is Cc1cc(F)ccc1NC(=O)c1cc(O)cc(O)c1.
What is the InChIKey of N-(4-fluoro-2-methylphenyl)-3,5-dihydroxybenzamide?
The InChIKey is PKGZZRDLRGWYGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO3/c1-8-4-10(15)2-3-13(8)16-14(19)9-5-11(17)7-12(18)6-9/h2-7,17-18H,1H3,(H,16,19).
What are the key properties of N-(4-fluoro-2-methylphenyl)-3,5-dihydroxybenzamide?
N-(4-fluoro-2-methylphenyl)-3,5-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-(4-fluoro-2-methylphenyl)-3,5-dihydroxybenzamide is sourced from PubChem (CID 103891547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).