N-(2-fluoroethyl)-2,5-dihydroxybenzamide

C9H10FNO3 — CID 130504504

IUPACN-(2-fluoroethyl)-2,5-dihydroxybenzamide
SMILESO=C(NCCF)c1cc(O)ccc1O
InChIInChI=1S/C9H10FNO3/c10-3-4-11-9(14)7-5-6(12)1-2-8(7)13/h1-2,5,12-13H,3-4H2,(H,11,14)
InChIKeyNJNQTAQFGRGDCM-UHFFFAOYSA-N
MW199.18 g/mol
LogP0.80
Rot. Bonds3

About N-(2-fluoroethyl)-2,5-dihydroxybenzamide

N-(2-fluoroethyl)-2,5-dihydroxybenzamide (PubChem CID 130504504) has the molecular formula C9H10FNO3 and a molecular weight of 199.18 g/mol. Its IUPAC name is N-(2-fluoroethyl)-2,5-dihydroxybenzamide.

Molecular Properties

Compound NameN-(2-fluoroethyl)-2,5-dihydroxybenzamide
PubChem CID130504504
Molecular FormulaC9H10FNO3
Molecular Weight199.18 g/mol
Exact Mass199.06
IUPAC NameN-(2-fluoroethyl)-2,5-dihydroxybenzamide
SMILESO=C(NCCF)c1cc(O)ccc1O
InChIInChI=1S/C9H10FNO3/c10-3-4-11-9(14)7-5-6(12)1-2-8(7)13/h1-2,5,12-13H,3-4H2,(H,11,14)
InChIKeyNJNQTAQFGRGDCM-UHFFFAOYSA-N
XLogP0.80
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.18
LogP ≤ 50.80
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

2,5-dihydroxy-N-[2-(methylamino)ethyl]benzamide
CID 107725066
N-[4-[3-[(2,5-dihydroxybenzoyl)amino]propylamino]butyl]-2,5-dihydroxybenzamide
CID 57339218
N-[2-(ethylamino)ethyl]-2,5-dihydroxybenzamide
CID 107725067
N-(4-chlorobutyl)-2,5-dihydroxybenzamide
CID 107726261
N-[3-[3-[4-(3-aminopropylamino)butylamino]propylamino]propyl]-2,5-dihydroxybenzamide
CID 101205069
2,5-dihydroxy-N-[(E)-pent-3-enyl]benzamide
CID 107723701
methyl 4-[(2,5-dihydroxybenzoyl)amino]butanoate
CID 67654054
N-(2,5-dihydroxybenzoyl)-2,5-dihydroxybenzamide
CID 91463347
N-(2-fluoroethyl)-2,3-dihydroxybenzamide
CID 130478170
N-(cyanomethyl)-2,5-dihydroxybenzamide
CID 103892329
N-[(E)-4-aminobut-2-enyl]-2,5-dihydroxybenzamide
CID 107725288
2,5-dihydroxy-N-(2-methylprop-2-enyl)benzamide
CID 107723898

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoroethyl)-2,5-dihydroxybenzamide?
The IUPAC name of N-(2-fluoroethyl)-2,5-dihydroxybenzamide (CID 130504504) is N-(2-fluoroethyl)-2,5-dihydroxybenzamide.
What is the SMILES notation for N-(2-fluoroethyl)-2,5-dihydroxybenzamide?
The canonical SMILES for N-(2-fluoroethyl)-2,5-dihydroxybenzamide is O=C(NCCF)c1cc(O)ccc1O.
What is the InChIKey of N-(2-fluoroethyl)-2,5-dihydroxybenzamide?
The InChIKey is NJNQTAQFGRGDCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FNO3/c10-3-4-11-9(14)7-5-6(12)1-2-8(7)13/h1-2,5,12-13H,3-4H2,(H,11,14).
What are the key properties of N-(2-fluoroethyl)-2,5-dihydroxybenzamide?
N-(2-fluoroethyl)-2,5-dihydroxybenzamide has a molecular weight of 199.18 g/mol, XLogP of 0.80, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoroethyl)-2,5-dihydroxybenzamide is sourced from PubChem (CID 130504504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).