4-ethanimidoyl-2-fluoro-5-(methylamino)benzamide

C10H12FN3O — CID 174256186

IUPAC4-ethanimidoyl-2-fluoro-5-(methylamino)benzamide
SMILES[H]/N=C(\C)c1cc(F)c(C(N)=O)cc1NC
InChIInChI=1S/C10H12FN3O/c1-5(12)6-3-8(11)7(10(13)15)4-9(6)14-2/h3-4,12,14H,1-2H3,(H2,13,15)/b12-5+
InChIKeyRZGJRRRTCBQATJ-LFYBBSHMSA-N
MW209.22 g/mol
LogP1.35
Rot. Bonds3

About 4-ethanimidoyl-2-fluoro-5-(methylamino)benzamide

4-ethanimidoyl-2-fluoro-5-(methylamino)benzamide (PubChem CID 174256186) has the molecular formula C10H12FN3O and a molecular weight of 209.22 g/mol. Its IUPAC name is 4-ethanimidoyl-2-fluoro-5-(methylamino)benzamide.

Molecular Properties

Compound Name4-ethanimidoyl-2-fluoro-5-(methylamino)benzamide
PubChem CID174256186
Molecular FormulaC10H12FN3O
Molecular Weight209.22 g/mol
Exact Mass209.10
IUPAC Name4-ethanimidoyl-2-fluoro-5-(methylamino)benzamide
SMILES[H]/N=C(\C)c1cc(F)c(C(N)=O)cc1NC
InChIInChI=1S/C10H12FN3O/c1-5(12)6-3-8(11)7(10(13)15)4-9(6)14-2/h3-4,12,14H,1-2H3,(H2,13,15)/b12-5+
InChIKeyRZGJRRRTCBQATJ-LFYBBSHMSA-N
XLogP1.35
TPSA78.97 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.22
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4,5-dichloro-2-ethanimidoyl-N-methylaniline;ethane
CID 144540373
5-bromo-2-ethanimidoyl-N-methylaniline
CID 145062110
3-ethanimidoyl-4-(methylamino)benzaldehyde
CID 171520476
2,3-difluoro-5-iodobenzamide
CID 121345074
5-tert-butyl-2-ethanimidoyl-N-methylaniline;ethane
CID 144540330
2-(ethylamino)-4,5-difluorobenzamide
CID 174841980
4-bromo-2,5-difluorobenzamide
CID 53418047
2,4-difluoro-5-(sulfamoylamino)benzamide
CID 112573250
5-(but-2-enoylamino)-2,4-difluorobenzamide
CID 78952252
5-(3,3-dimethylbutylamino)-2,4-difluorobenzamide
CID 62964464
3,4,5-trifluoro-2-methylbenzamide
CID 87559978
5-[(2-aminoacetyl)amino]-2,4-difluorobenzamide
CID 43699282

Frequently Asked Questions

What is the IUPAC name of 4-ethanimidoyl-2-fluoro-5-(methylamino)benzamide?
The IUPAC name of 4-ethanimidoyl-2-fluoro-5-(methylamino)benzamide (CID 174256186) is 4-ethanimidoyl-2-fluoro-5-(methylamino)benzamide.
What is the SMILES notation for 4-ethanimidoyl-2-fluoro-5-(methylamino)benzamide?
The canonical SMILES for 4-ethanimidoyl-2-fluoro-5-(methylamino)benzamide is [H]/N=C(\C)c1cc(F)c(C(N)=O)cc1NC.
What is the InChIKey of 4-ethanimidoyl-2-fluoro-5-(methylamino)benzamide?
The InChIKey is RZGJRRRTCBQATJ-LFYBBSHMSA-N. The full InChI is InChI=1S/C10H12FN3O/c1-5(12)6-3-8(11)7(10(13)15)4-9(6)14-2/h3-4,12,14H,1-2H3,(H2,13,15)/b12-5+.
What are the key properties of 4-ethanimidoyl-2-fluoro-5-(methylamino)benzamide?
4-ethanimidoyl-2-fluoro-5-(methylamino)benzamide has a molecular weight of 209.22 g/mol, XLogP of 1.35, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethanimidoyl-2-fluoro-5-(methylamino)benzamide is sourced from PubChem (CID 174256186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).