2-[(Z)-3-amino-3-(4-fluorophenyl)prop-2-enimidoyl]-6-fluorobenzamide

C16H13F2N3O — CID 145217858

IUPAC2-[(Z)-3-amino-3-(4-fluorophenyl)prop-2-enimidoyl]-6-fluorobenzamide
SMILES[H]/N=C(\C=C(/N)c1ccc(F)cc1)c1cccc(F)c1C(N)=O
InChIInChI=1S/C16H13F2N3O/c17-10-6-4-9(5-7-10)13(19)8-14(20)11-2-1-3-12(18)15(11)16(21)22/h1-8,20H,19H2,(H2,21,22)/b13-8-,20-14+
InChIKeyHKBXQCDGQDYNBU-VUIHOAHMSA-N
MW301.30 g/mol
LogP2.43
Rot. Bonds4

About 2-[(Z)-3-amino-3-(4-fluorophenyl)prop-2-enimidoyl]-6-fluorobenzamide

2-[(Z)-3-amino-3-(4-fluorophenyl)prop-2-enimidoyl]-6-fluorobenzamide (PubChem CID 145217858) has the molecular formula C16H13F2N3O and a molecular weight of 301.30 g/mol. Its IUPAC name is 2-[(Z)-3-amino-3-(4-fluorophenyl)prop-2-enimidoyl]-6-fluorobenzamide.

Molecular Properties

Compound Name2-[(Z)-3-amino-3-(4-fluorophenyl)prop-2-enimidoyl]-6-fluorobenzamide
PubChem CID145217858
Molecular FormulaC16H13F2N3O
Molecular Weight301.30 g/mol
Exact Mass301.10
IUPAC Name2-[(Z)-3-amino-3-(4-fluorophenyl)prop-2-enimidoyl]-6-fluorobenzamide
SMILES[H]/N=C(\C=C(/N)c1ccc(F)cc1)c1cccc(F)c1C(N)=O
InChIInChI=1S/C16H13F2N3O/c17-10-6-4-9(5-7-10)13(19)8-14(20)11-2-1-3-12(18)15(11)16(21)22/h1-8,20H,19H2,(H2,21,22)/b13-8-,20-14+
InChIKeyHKBXQCDGQDYNBU-VUIHOAHMSA-N
XLogP2.43
TPSA92.96 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.30
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-3-amino-3-(4-fluorophenyl)prop-2-enimidoyl]-6-fluorobenzamide?
The IUPAC name of 2-[(Z)-3-amino-3-(4-fluorophenyl)prop-2-enimidoyl]-6-fluorobenzamide (CID 145217858) is 2-[(Z)-3-amino-3-(4-fluorophenyl)prop-2-enimidoyl]-6-fluorobenzamide.
What is the SMILES notation for 2-[(Z)-3-amino-3-(4-fluorophenyl)prop-2-enimidoyl]-6-fluorobenzamide?
The canonical SMILES for 2-[(Z)-3-amino-3-(4-fluorophenyl)prop-2-enimidoyl]-6-fluorobenzamide is [H]/N=C(\C=C(/N)c1ccc(F)cc1)c1cccc(F)c1C(N)=O.
What is the InChIKey of 2-[(Z)-3-amino-3-(4-fluorophenyl)prop-2-enimidoyl]-6-fluorobenzamide?
The InChIKey is HKBXQCDGQDYNBU-VUIHOAHMSA-N. The full InChI is InChI=1S/C16H13F2N3O/c17-10-6-4-9(5-7-10)13(19)8-14(20)11-2-1-3-12(18)15(11)16(21)22/h1-8,20H,19H2,(H2,21,22)/b13-8-,20-14+.
What are the key properties of 2-[(Z)-3-amino-3-(4-fluorophenyl)prop-2-enimidoyl]-6-fluorobenzamide?
2-[(Z)-3-amino-3-(4-fluorophenyl)prop-2-enimidoyl]-6-fluorobenzamide has a molecular weight of 301.30 g/mol, XLogP of 2.43, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-3-amino-3-(4-fluorophenyl)prop-2-enimidoyl]-6-fluorobenzamide is sourced from PubChem (CID 145217858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).