3-amino-2-(2-fluoro-N-methylanilino)benzamide

C14H14FN3O — CID 112578744

IUPAC3-amino-2-(2-fluoro-N-methylanilino)benzamide
SMILESCN(c1ccccc1F)c1c(N)cccc1C(N)=O
InChIInChI=1S/C14H14FN3O/c1-18(12-8-3-2-6-10(12)15)13-9(14(17)19)5-4-7-11(13)16/h2-8H,16H2,1H3,(H2,17,19)
InChIKeyMBOKXAVCGGSIMN-UHFFFAOYSA-N
MW259.28 g/mol
LogP2.27
Rot. Bonds3

About 3-amino-2-(2-fluoro-N-methylanilino)benzamide

3-amino-2-(2-fluoro-N-methylanilino)benzamide (PubChem CID 112578744) has the molecular formula C14H14FN3O and a molecular weight of 259.28 g/mol. Its IUPAC name is 3-amino-2-(2-fluoro-N-methylanilino)benzamide.

Molecular Properties

Compound Name3-amino-2-(2-fluoro-N-methylanilino)benzamide
PubChem CID112578744
Molecular FormulaC14H14FN3O
Molecular Weight259.28 g/mol
Exact Mass259.11
IUPAC Name3-amino-2-(2-fluoro-N-methylanilino)benzamide
SMILESCN(c1ccccc1F)c1c(N)cccc1C(N)=O
InChIInChI=1S/C14H14FN3O/c1-18(12-8-3-2-6-10(12)15)13-9(14(17)19)5-4-7-11(13)16/h2-8H,16H2,1H3,(H2,17,19)
InChIKeyMBOKXAVCGGSIMN-UHFFFAOYSA-N
XLogP2.27
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.28
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(2,6-difluorophenyl)-N-methylbenzamide
CID 82090708
2-[(2,6-difluorophenyl)sulfonyl-methylamino]benzamide
CID 31579746
3-amino-2-[(4-fluorophenyl)methyl-methylamino]benzamide
CID 115934270
3-amino-2-(N-ethylanilino)benzamide
CID 112577869
2-fluorobenzamide;dihydrochloride
CID 22563899
3-amino-2-[bis(2-methylpropyl)amino]benzamide
CID 112578297
N-(2-carbamoyl-6-fluorophenyl)-2,4,5-trifluoro-N-methylbenzamide
CID 91650502
4-amino-3-(2-fluoro-N-methylanilino)benzoic acid
CID 82785779
3-amino-2-[bis(2-hydroxyethyl)amino]benzamide
CID 112578295
3-amino-2-(3-fluoro-N-methylanilino)benzoic acid
CID 112578745
3-amino-2-[2-(dimethylamino)anilino]benzamide
CID 106760653
3-amino-2-[methyl-(4-methylcyclohexyl)amino]benzamide
CID 112578354

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(2-fluoro-N-methylanilino)benzamide?
The IUPAC name of 3-amino-2-(2-fluoro-N-methylanilino)benzamide (CID 112578744) is 3-amino-2-(2-fluoro-N-methylanilino)benzamide.
What is the SMILES notation for 3-amino-2-(2-fluoro-N-methylanilino)benzamide?
The canonical SMILES for 3-amino-2-(2-fluoro-N-methylanilino)benzamide is CN(c1ccccc1F)c1c(N)cccc1C(N)=O.
What is the InChIKey of 3-amino-2-(2-fluoro-N-methylanilino)benzamide?
The InChIKey is MBOKXAVCGGSIMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O/c1-18(12-8-3-2-6-10(12)15)13-9(14(17)19)5-4-7-11(13)16/h2-8H,16H2,1H3,(H2,17,19).
What are the key properties of 3-amino-2-(2-fluoro-N-methylanilino)benzamide?
3-amino-2-(2-fluoro-N-methylanilino)benzamide has a molecular weight of 259.28 g/mol, XLogP of 2.27, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(2-fluoro-N-methylanilino)benzamide is sourced from PubChem (CID 112578744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).