N-ethyl-N-(2-fluorophenyl)-3,4-dihydroxybenzamide

C15H14FNO3 — CID 103956769

IUPACN-ethyl-N-(2-fluorophenyl)-3,4-dihydroxybenzamide
SMILESCCN(C(=O)c1ccc(O)c(O)c1)c1ccccc1F
InChIInChI=1S/C15H14FNO3/c1-2-17(12-6-4-3-5-11(12)16)15(20)10-7-8-13(18)14(19)9-10/h3-9,18-19H,2H2,1H3
InChIKeyFWRODGNICRLKAR-UHFFFAOYSA-N
MW275.28 g/mol
LogP2.90
Rot. Bonds3

About N-ethyl-N-(2-fluorophenyl)-3,4-dihydroxybenzamide

N-ethyl-N-(2-fluorophenyl)-3,4-dihydroxybenzamide (PubChem CID 103956769) has the molecular formula C15H14FNO3 and a molecular weight of 275.28 g/mol. Its IUPAC name is N-ethyl-N-(2-fluorophenyl)-3,4-dihydroxybenzamide.

Molecular Properties

Compound NameN-ethyl-N-(2-fluorophenyl)-3,4-dihydroxybenzamide
PubChem CID103956769
Molecular FormulaC15H14FNO3
Molecular Weight275.28 g/mol
Exact Mass275.10
IUPAC NameN-ethyl-N-(2-fluorophenyl)-3,4-dihydroxybenzamide
SMILESCCN(C(=O)c1ccc(O)c(O)c1)c1ccccc1F
InChIInChI=1S/C15H14FNO3/c1-2-17(12-6-4-3-5-11(12)16)15(20)10-7-8-13(18)14(19)9-10/h3-9,18-19H,2H2,1H3
InChIKeyFWRODGNICRLKAR-UHFFFAOYSA-N
XLogP2.90
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.28
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-N-(2-fluorophenyl)-3-hydroxy-4-iodobenzamide
CID 104627922
N-ethyl-N-(3-fluorophenyl)-3,4-dihydroxybenzamide
CID 103956480
N-ethyl-N-(2-fluorophenyl)-2-(methylamino)pyridine-4-carboxamide
CID 62174207
ethyl-(2-fluorophenyl)carbamic acid
CID 57376109
N-ethyl-3,4-dihydroxy-N-pyridin-4-ylbenzamide
CID 103957153
2-[2-(aminomethyl)phenyl]-N-ethyl-N-(2-fluorophenyl)acetamide
CID 81312468
N-ethyl-N-(2-fluorophenyl)-4-sulfanylthiophene-2-carboxamide
CID 107027791
N-(2-aminophenyl)-N-ethyl-3-hydroxy-4-methoxybenzamide
CID 79737146
4-amino-N-(2-fluorophenyl)-3-hydroxy-N-methylbenzamide
CID 107075078
ethane;N-ethyl-3,4-dihydroxy-N-methylbenzamide
CID 144926311
3-bromo-N-ethyl-2-fluoro-N-(2-fluorophenyl)benzamide
CID 106544595
6-bromo-N-ethyl-N-(2-fluorophenyl)pyridine-2-carboxamide
CID 113346688

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-fluorophenyl)-3,4-dihydroxybenzamide?
The IUPAC name of N-ethyl-N-(2-fluorophenyl)-3,4-dihydroxybenzamide (CID 103956769) is N-ethyl-N-(2-fluorophenyl)-3,4-dihydroxybenzamide.
What is the SMILES notation for N-ethyl-N-(2-fluorophenyl)-3,4-dihydroxybenzamide?
The canonical SMILES for N-ethyl-N-(2-fluorophenyl)-3,4-dihydroxybenzamide is CCN(C(=O)c1ccc(O)c(O)c1)c1ccccc1F.
What is the InChIKey of N-ethyl-N-(2-fluorophenyl)-3,4-dihydroxybenzamide?
The InChIKey is FWRODGNICRLKAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO3/c1-2-17(12-6-4-3-5-11(12)16)15(20)10-7-8-13(18)14(19)9-10/h3-9,18-19H,2H2,1H3.
What are the key properties of N-ethyl-N-(2-fluorophenyl)-3,4-dihydroxybenzamide?
N-ethyl-N-(2-fluorophenyl)-3,4-dihydroxybenzamide has a molecular weight of 275.28 g/mol, XLogP of 2.90, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-fluorophenyl)-3,4-dihydroxybenzamide is sourced from PubChem (CID 103956769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).