5-amino-2-fluoro-N-methoxy-N,3-dimethylbenzamide

C10H13FN2O2 — CID 103295990

IUPAC5-amino-2-fluoro-N-methoxy-N,3-dimethylbenzamide
SMILESCON(C)C(=O)c1cc(N)cc(C)c1F
InChIInChI=1S/C10H13FN2O2/c1-6-4-7(12)5-8(9(6)11)10(14)13(2)15-3/h4-5H,12H2,1-3H3
InChIKeyQYSHJAQDZAUWIE-UHFFFAOYSA-N
MW212.22 g/mol
LogP1.35
Rot. Bonds2

About 5-amino-2-fluoro-N-methoxy-N,3-dimethylbenzamide

5-amino-2-fluoro-N-methoxy-N,3-dimethylbenzamide (PubChem CID 103295990) has the molecular formula C10H13FN2O2 and a molecular weight of 212.22 g/mol. Its IUPAC name is 5-amino-2-fluoro-N-methoxy-N,3-dimethylbenzamide.

Molecular Properties

Compound Name5-amino-2-fluoro-N-methoxy-N,3-dimethylbenzamide
PubChem CID103295990
Molecular FormulaC10H13FN2O2
Molecular Weight212.22 g/mol
Exact Mass212.10
IUPAC Name5-amino-2-fluoro-N-methoxy-N,3-dimethylbenzamide
SMILESCON(C)C(=O)c1cc(N)cc(C)c1F
InChIInChI=1S/C10H13FN2O2/c1-6-4-7(12)5-8(9(6)11)10(14)13(2)15-3/h4-5H,12H2,1-3H3
InChIKeyQYSHJAQDZAUWIE-UHFFFAOYSA-N
XLogP1.35
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.22
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-amino-2-fluoro-N-methoxy-N,3-dimethylbenzamide 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

5-amino-N,N-diethyl-2-fluoro-3-methylbenzamide
CID 103295681
5-fluoro-N-methoxy-N,2,4-trimethylbenzamide
CID 89047148
5-amino-2-fluoro-N,3-dimethyl-N-prop-2-enylbenzamide
CID 103296717
5-amino-2-fluoro-N-(1-hydroxypropan-2-yl)-N,3-dimethylbenzamide
CID 103296803
5-amino-2-fluoro-N,3-dimethyl-N-pentan-2-ylbenzamide
CID 103295951
5-amino-2-fluoro-N-(5-hydroxypentyl)-N,3-dimethylbenzamide
CID 107197446
5-amino-2-fluoro-N-[(4-fluorophenyl)methyl]-N,3-dimethylbenzamide
CID 103295957
5-amino-2-fluoro-N,3-dimethyl-N-(4-methylcyclohexyl)benzamide
CID 103296058
5-amino-2-fluoro-N-[(1-hydroxycyclopentyl)methyl]-N,3-dimethylbenzamide
CID 103296926
5-amino-N-(cyclobutylmethyl)-2-fluoro-N,3-dimethylbenzamide
CID 103296416
5-amino-2-fluoro-N-(2-hydroxycyclohexyl)-N,3-dimethylbenzamide
CID 103296931
5-amino-N-(2-amino-2-oxoethyl)-N-ethyl-2-fluoro-3-methylbenzamide
CID 103296950

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-fluoro-N-methoxy-N,3-dimethylbenzamide?
The IUPAC name of 5-amino-2-fluoro-N-methoxy-N,3-dimethylbenzamide (CID 103295990) is 5-amino-2-fluoro-N-methoxy-N,3-dimethylbenzamide.
What is the SMILES notation for 5-amino-2-fluoro-N-methoxy-N,3-dimethylbenzamide?
The canonical SMILES for 5-amino-2-fluoro-N-methoxy-N,3-dimethylbenzamide is CON(C)C(=O)c1cc(N)cc(C)c1F.
What is the InChIKey of 5-amino-2-fluoro-N-methoxy-N,3-dimethylbenzamide?
The InChIKey is QYSHJAQDZAUWIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O2/c1-6-4-7(12)5-8(9(6)11)10(14)13(2)15-3/h4-5H,12H2,1-3H3.
What are the key properties of 5-amino-2-fluoro-N-methoxy-N,3-dimethylbenzamide?
5-amino-2-fluoro-N-methoxy-N,3-dimethylbenzamide has a molecular weight of 212.22 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-fluoro-N-methoxy-N,3-dimethylbenzamide is sourced from PubChem (CID 103295990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).