2-amino-3-fluoro-N-(2-methoxyethyl)-N-methylbenzamide

C11H15FN2O2 — CID 62661076

IUPAC2-amino-3-fluoro-N-(2-methoxyethyl)-N-methylbenzamide
SMILESCOCCN(C)C(=O)c1cccc(F)c1N
InChIInChI=1S/C11H15FN2O2/c1-14(6-7-16-2)11(15)8-4-3-5-9(12)10(8)13/h3-5H,6-7,13H2,1-2H3
InChIKeyVMWCCDAHPYMXJF-UHFFFAOYSA-N
MW226.25 g/mol
LogP1.13
Rot. Bonds4

About 2-amino-3-fluoro-N-(2-methoxyethyl)-N-methylbenzamide

2-amino-3-fluoro-N-(2-methoxyethyl)-N-methylbenzamide (PubChem CID 62661076) has the molecular formula C11H15FN2O2 and a molecular weight of 226.25 g/mol. Its IUPAC name is 2-amino-3-fluoro-N-(2-methoxyethyl)-N-methylbenzamide.

Molecular Properties

Compound Name2-amino-3-fluoro-N-(2-methoxyethyl)-N-methylbenzamide
PubChem CID62661076
Molecular FormulaC11H15FN2O2
Molecular Weight226.25 g/mol
Exact Mass226.11
IUPAC Name2-amino-3-fluoro-N-(2-methoxyethyl)-N-methylbenzamide
SMILESCOCCN(C)C(=O)c1cccc(F)c1N
InChIInChI=1S/C11H15FN2O2/c1-14(6-7-16-2)11(15)8-4-3-5-9(12)10(8)13/h3-5H,6-7,13H2,1-2H3
InChIKeyVMWCCDAHPYMXJF-UHFFFAOYSA-N
XLogP1.13
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-methoxyethyl(methyl)carbamoyl]benzoic acid
CID 61041287
2-amino-3-fluoro-N-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 62661751
2-amino-3-fluoro-N-methyl-N-(pyridin-4-ylmethyl)benzamide
CID 62662222
2,3-difluoro-N,N-bis(2-methoxyethyl)benzamide
CID 62661170
2-amino-N-(3-methoxypropyl)-N-methylbenzamide
CID 62983937
2-amino-N-butan-2-yl-3-fluoro-N-methylbenzamide
CID 62650764
N-(3-aminopropyl)-2-fluoro-N-(2-methoxyethyl)benzamide
CID 55173242
2,3-difluoro-N-methyl-N-(2-propan-2-yloxyethyl)benzamide
CID 80710110
2-amino-N-[(3-bromophenyl)methyl]-3-fluoro-N-methylbenzamide
CID 62660187
2-amino-3-fluoro-N',N'-dimethylbenzohydrazide
CID 83021184
2-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-3-fluorobenzamide
CID 55142391
2-hydrazinyl-N-(2-methoxyethyl)-N-methylpyridine-3-carboxamide
CID 62241293

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-fluoro-N-(2-methoxyethyl)-N-methylbenzamide?
The IUPAC name of 2-amino-3-fluoro-N-(2-methoxyethyl)-N-methylbenzamide (CID 62661076) is 2-amino-3-fluoro-N-(2-methoxyethyl)-N-methylbenzamide.
What is the SMILES notation for 2-amino-3-fluoro-N-(2-methoxyethyl)-N-methylbenzamide?
The canonical SMILES for 2-amino-3-fluoro-N-(2-methoxyethyl)-N-methylbenzamide is COCCN(C)C(=O)c1cccc(F)c1N.
What is the InChIKey of 2-amino-3-fluoro-N-(2-methoxyethyl)-N-methylbenzamide?
The InChIKey is VMWCCDAHPYMXJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O2/c1-14(6-7-16-2)11(15)8-4-3-5-9(12)10(8)13/h3-5H,6-7,13H2,1-2H3.
What are the key properties of 2-amino-3-fluoro-N-(2-methoxyethyl)-N-methylbenzamide?
2-amino-3-fluoro-N-(2-methoxyethyl)-N-methylbenzamide has a molecular weight of 226.25 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-fluoro-N-(2-methoxyethyl)-N-methylbenzamide is sourced from PubChem (CID 62661076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).