2-fluoro-N,4-dimethoxybenzamide

C9H10FNO3 — CID 103606176

IUPAC2-fluoro-N,4-dimethoxybenzamide
SMILESCONC(=O)c1ccc(OC)cc1F
InChIInChI=1S/C9H10FNO3/c1-13-6-3-4-7(8(10)5-6)9(12)11-14-2/h3-5H,1-2H3,(H,11,12)
InChIKeyDMJBCWONVRBBOT-UHFFFAOYSA-N
MW199.18 g/mol
LogP1.13
Rot. Bonds3

About 2-fluoro-N,4-dimethoxybenzamide

2-fluoro-N,4-dimethoxybenzamide (PubChem CID 103606176) has the molecular formula C9H10FNO3 and a molecular weight of 199.18 g/mol. Its IUPAC name is 2-fluoro-N,4-dimethoxybenzamide.

Molecular Properties

Compound Name2-fluoro-N,4-dimethoxybenzamide
PubChem CID103606176
Molecular FormulaC9H10FNO3
Molecular Weight199.18 g/mol
Exact Mass199.06
IUPAC Name2-fluoro-N,4-dimethoxybenzamide
SMILESCONC(=O)c1ccc(OC)cc1F
InChIInChI=1S/C9H10FNO3/c1-13-6-3-4-7(8(10)5-6)9(12)11-14-2/h3-5H,1-2H3,(H,11,12)
InChIKeyDMJBCWONVRBBOT-UHFFFAOYSA-N
XLogP1.13
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.18
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-fluoro-N,4-dimethoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(ethylamino)-2-oxoethyl]-2-fluoro-4-methoxybenzamide
CID 9224867
N-(2-aminocyclopropyl)-2-fluoro-4-methoxybenzamide
CID 103804989
N-(2-chloroethyl)-2-fluoro-4-methoxybenzamide
CID 102883572
ethyl 2-[(2-fluoro-4-methoxybenzoyl)amino]acetate
CID 87037221
N-but-2-ynyl-2-fluoro-4-methoxybenzamide
CID 103868606
2-fluoro-4-methoxy-N-(3-methylpentan-3-yl)benzamide
CID 113235181
N-(3,3-dimethylbutan-2-yl)-2-fluoro-4-methoxybenzamide
CID 103659243
N-(1-amino-2,3-dimethylbutan-2-yl)-2-fluoro-4-methoxybenzamide;hydrochloride
CID 119607834
N-[2-(diethylamino)ethyl]-2-fluoro-4-methoxybenzamide
CID 103602887
N-(2-amino-4-hydroxyphenyl)-2-fluoro-4-methoxybenzamide
CID 107697209
N-(2-aminobutyl)-2-fluoro-4-methoxybenzamide
CID 102884002
N-(2-amino-4-methylphenyl)-2-fluoro-4-methoxybenzamide
CID 102881866

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N,4-dimethoxybenzamide?
The IUPAC name of 2-fluoro-N,4-dimethoxybenzamide (CID 103606176) is 2-fluoro-N,4-dimethoxybenzamide.
What is the SMILES notation for 2-fluoro-N,4-dimethoxybenzamide?
The canonical SMILES for 2-fluoro-N,4-dimethoxybenzamide is CONC(=O)c1ccc(OC)cc1F.
What is the InChIKey of 2-fluoro-N,4-dimethoxybenzamide?
The InChIKey is DMJBCWONVRBBOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FNO3/c1-13-6-3-4-7(8(10)5-6)9(12)11-14-2/h3-5H,1-2H3,(H,11,12).
What are the key properties of 2-fluoro-N,4-dimethoxybenzamide?
2-fluoro-N,4-dimethoxybenzamide has a molecular weight of 199.18 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N,4-dimethoxybenzamide is sourced from PubChem (CID 103606176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).