4-amino-3-ethanimidoyl-N-[1-(2-fluorophenyl)-3-methylbutyl]benzamide

C20H24FN3O — CID 123378129

IUPAC4-amino-3-ethanimidoyl-N-[1-(2-fluorophenyl)-3-methylbutyl]benzamide
SMILES[H]/N=C(\C)c1cc(C(=O)NC(CC(C)C)c2ccccc2F)ccc1N
InChIInChI=1S/C20H24FN3O/c1-12(2)10-19(15-6-4-5-7-17(15)21)24-20(25)14-8-9-18(23)16(11-14)13(3)22/h4-9,11-12,19,22H,10,23H2,1-3H3,(H,24,25)/b22-13+
InChIKeyGLBBITWTWWPAFR-LPYMAVHISA-N
MW341.43 g/mol
LogP4.31
Rot. Bonds6

About 4-amino-3-ethanimidoyl-N-[1-(2-fluorophenyl)-3-methylbutyl]benzamide

4-amino-3-ethanimidoyl-N-[1-(2-fluorophenyl)-3-methylbutyl]benzamide (PubChem CID 123378129) has the molecular formula C20H24FN3O and a molecular weight of 341.43 g/mol. Its IUPAC name is 4-amino-3-ethanimidoyl-N-[1-(2-fluorophenyl)-3-methylbutyl]benzamide.

Molecular Properties

Compound Name4-amino-3-ethanimidoyl-N-[1-(2-fluorophenyl)-3-methylbutyl]benzamide
PubChem CID123378129
Molecular FormulaC20H24FN3O
Molecular Weight341.43 g/mol
Exact Mass341.19
IUPAC Name4-amino-3-ethanimidoyl-N-[1-(2-fluorophenyl)-3-methylbutyl]benzamide
SMILES[H]/N=C(\C)c1cc(C(=O)NC(CC(C)C)c2ccccc2F)ccc1N
InChIInChI=1S/C20H24FN3O/c1-12(2)10-19(15-6-4-5-7-17(15)21)24-20(25)14-8-9-18(23)16(11-14)13(3)22/h4-9,11-12,19,22H,10,23H2,1-3H3,(H,24,25)/b22-13+
InChIKeyGLBBITWTWWPAFR-LPYMAVHISA-N
XLogP4.31
TPSA78.97 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 54.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3-ethanimidoyl-N-[1-(2-fluorophenyl)-3-methylbutyl]benzamide?
The IUPAC name of 4-amino-3-ethanimidoyl-N-[1-(2-fluorophenyl)-3-methylbutyl]benzamide (CID 123378129) is 4-amino-3-ethanimidoyl-N-[1-(2-fluorophenyl)-3-methylbutyl]benzamide.
What is the SMILES notation for 4-amino-3-ethanimidoyl-N-[1-(2-fluorophenyl)-3-methylbutyl]benzamide?
The canonical SMILES for 4-amino-3-ethanimidoyl-N-[1-(2-fluorophenyl)-3-methylbutyl]benzamide is [H]/N=C(\C)c1cc(C(=O)NC(CC(C)C)c2ccccc2F)ccc1N.
What is the InChIKey of 4-amino-3-ethanimidoyl-N-[1-(2-fluorophenyl)-3-methylbutyl]benzamide?
The InChIKey is GLBBITWTWWPAFR-LPYMAVHISA-N. The full InChI is InChI=1S/C20H24FN3O/c1-12(2)10-19(15-6-4-5-7-17(15)21)24-20(25)14-8-9-18(23)16(11-14)13(3)22/h4-9,11-12,19,22H,10,23H2,1-3H3,(H,24,25)/b22-13+.
What are the key properties of 4-amino-3-ethanimidoyl-N-[1-(2-fluorophenyl)-3-methylbutyl]benzamide?
4-amino-3-ethanimidoyl-N-[1-(2-fluorophenyl)-3-methylbutyl]benzamide has a molecular weight of 341.43 g/mol, XLogP of 4.31, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-ethanimidoyl-N-[1-(2-fluorophenyl)-3-methylbutyl]benzamide is sourced from PubChem (CID 123378129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).