2-amino-4-fluoro-N-methoxy-N-methylbenzamide

C9H11FN2O2 — CID 63110530

IUPAC2-amino-4-fluoro-N-methoxy-N-methylbenzamide
SMILESCON(C)C(=O)c1ccc(F)cc1N
InChIInChI=1S/C9H11FN2O2/c1-12(14-2)9(13)7-4-3-6(10)5-8(7)11/h3-5H,11H2,1-2H3
InChIKeyOZCLWRLQBYZTMS-UHFFFAOYSA-N
MW198.20 g/mol
LogP1.04
Rot. Bonds2

About 2-amino-4-fluoro-N-methoxy-N-methylbenzamide

2-amino-4-fluoro-N-methoxy-N-methylbenzamide (PubChem CID 63110530) has the molecular formula C9H11FN2O2 and a molecular weight of 198.20 g/mol. Its IUPAC name is 2-amino-4-fluoro-N-methoxy-N-methylbenzamide.

Molecular Properties

Compound Name2-amino-4-fluoro-N-methoxy-N-methylbenzamide
PubChem CID63110530
Molecular FormulaC9H11FN2O2
Molecular Weight198.20 g/mol
Exact Mass198.08
IUPAC Name2-amino-4-fluoro-N-methoxy-N-methylbenzamide
SMILESCON(C)C(=O)c1ccc(F)cc1N
InChIInChI=1S/C9H11FN2O2/c1-12(14-2)9(13)7-4-3-6(10)5-8(7)11/h3-5H,11H2,1-2H3
InChIKeyOZCLWRLQBYZTMS-UHFFFAOYSA-N
XLogP1.04
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.20
LogP ≤ 51.04
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'}

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Related Compounds

2-amino-4-fluoro-N-(1-methoxypropan-2-yl)-N-methylbenzamide
CID 63110280
2-amino-4-fluoro-N-(3-methoxyphenyl)-N-methylbenzamide
CID 63110478
2-amino-N-cyclohexyl-4-fluoro-N-methylbenzamide
CID 62072600
2-amino-4-fluoro-N-(2-methoxyethyl)-N-propan-2-ylbenzamide
CID 82950859
2-amino-N-[(2,4-difluorophenyl)methyl]-4-fluoro-N-methylbenzamide
CID 62072492
5-amino-2-fluoro-N-methoxy-N,3-dimethylbenzamide
CID 103295990
2-amino-N,N-bis(2-amino-2-oxoethyl)-4-fluorobenzamide
CID 63110451
2-amino-N-[2-(dimethylamino)ethyl]-4-fluoro-N-propylbenzamide
CID 63110466
2-amino-4-fluoro-N-methyl-N-[(4-methylphenyl)methyl]benzamide
CID 63109740
2-amino-N-[2-(diethylamino)-2-oxoethyl]-4-fluoro-N-methylbenzamide
CID 63110325
2-amino-4-fluoro-N-(3-hydroxyphenyl)-N-methylbenzamide
CID 107733131
4-bromo-2,3-difluoro-N-methoxy-N-methylbenzamide
CID 171366673

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-fluoro-N-methoxy-N-methylbenzamide?
The IUPAC name of 2-amino-4-fluoro-N-methoxy-N-methylbenzamide (CID 63110530) is 2-amino-4-fluoro-N-methoxy-N-methylbenzamide.
What is the SMILES notation for 2-amino-4-fluoro-N-methoxy-N-methylbenzamide?
The canonical SMILES for 2-amino-4-fluoro-N-methoxy-N-methylbenzamide is CON(C)C(=O)c1ccc(F)cc1N.
What is the InChIKey of 2-amino-4-fluoro-N-methoxy-N-methylbenzamide?
The InChIKey is OZCLWRLQBYZTMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN2O2/c1-12(14-2)9(13)7-4-3-6(10)5-8(7)11/h3-5H,11H2,1-2H3.
What are the key properties of 2-amino-4-fluoro-N-methoxy-N-methylbenzamide?
2-amino-4-fluoro-N-methoxy-N-methylbenzamide has a molecular weight of 198.20 g/mol, XLogP of 1.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-fluoro-N-methoxy-N-methylbenzamide is sourced from PubChem (CID 63110530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).