N-(2-fluoroethyl)-2,3-dihydroxybenzamide

C9H10FNO3 — CID 130478170

IUPACN-(2-fluoroethyl)-2,3-dihydroxybenzamide
SMILESO=C(NCCF)c1cccc(O)c1O
InChIInChI=1S/C9H10FNO3/c10-4-5-11-9(14)6-2-1-3-7(12)8(6)13/h1-3,12-13H,4-5H2,(H,11,14)
InChIKeyLZZZPCDLDYJHNN-UHFFFAOYSA-N
MW199.18 g/mol
LogP0.80
Rot. Bonds3

About N-(2-fluoroethyl)-2,3-dihydroxybenzamide

N-(2-fluoroethyl)-2,3-dihydroxybenzamide (PubChem CID 130478170) has the molecular formula C9H10FNO3 and a molecular weight of 199.18 g/mol. Its IUPAC name is N-(2-fluoroethyl)-2,3-dihydroxybenzamide.

Molecular Properties

Compound NameN-(2-fluoroethyl)-2,3-dihydroxybenzamide
PubChem CID130478170
Molecular FormulaC9H10FNO3
Molecular Weight199.18 g/mol
Exact Mass199.06
IUPAC NameN-(2-fluoroethyl)-2,3-dihydroxybenzamide
SMILESO=C(NCCF)c1cccc(O)c1O
InChIInChI=1S/C9H10FNO3/c10-4-5-11-9(14)6-2-1-3-7(12)8(6)13/h1-3,12-13H,4-5H2,(H,11,14)
InChIKeyLZZZPCDLDYJHNN-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': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

3-[(2,3-dihydroxybenzoyl)amino]propanoic acid
CID 114343241
2,3-dihydroxy-N-(2-phenylethyl)benzamide
CID 22895318
N-(3-acetamidopropyl)-2,3-dihydroxybenzamide
CID 144546819
N-[2-(2-aminoethoxy)ethyl]-2,3-dihydroxybenzamide
CID 114345378
N-[3-(3-aminopropylamino)propyl]-2,3-dihydroxybenzamide
CID 45479385
1-N,3-N-bis(2-aminoethyl)-2-hydroxybenzene-1,3-dicarboxamide
CID 12964331
N-(2-cyclopropylethyl)-2,3-dihydroxybenzamide
CID 114344475
N-(2-fluoroethyl)-2,5-dihydroxybenzamide
CID 130504504
N-(3-amino-2,2-difluoropropyl)-2,3-dihydroxybenzamide
CID 114383835
N-[3-(2-aminoethoxy)propyl]-2,3-dihydroxybenzamide
CID 114171525
2,3-dihydroxy-N-[3-(propan-2-ylamino)propyl]benzamide
CID 90364861
2,3-dihydroxy-N-prop-2-enylbenzamide
CID 67915131

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoroethyl)-2,3-dihydroxybenzamide?
The IUPAC name of N-(2-fluoroethyl)-2,3-dihydroxybenzamide (CID 130478170) is N-(2-fluoroethyl)-2,3-dihydroxybenzamide.
What is the SMILES notation for N-(2-fluoroethyl)-2,3-dihydroxybenzamide?
The canonical SMILES for N-(2-fluoroethyl)-2,3-dihydroxybenzamide is O=C(NCCF)c1cccc(O)c1O.
What is the InChIKey of N-(2-fluoroethyl)-2,3-dihydroxybenzamide?
The InChIKey is LZZZPCDLDYJHNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FNO3/c10-4-5-11-9(14)6-2-1-3-7(12)8(6)13/h1-3,12-13H,4-5H2,(H,11,14).
What are the key properties of N-(2-fluoroethyl)-2,3-dihydroxybenzamide?
N-(2-fluoroethyl)-2,3-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)-2,3-dihydroxybenzamide is sourced from PubChem (CID 130478170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).