(E)-N-[(E)-(4-fluorophenyl)methylideneamino]-3-phenylprop-2-enamide

C16H13FN2O — CID 66572432

IUPAC(E)-N-[(E)-(4-fluorophenyl)methylideneamino]-3-phenylprop-2-enamide
SMILESO=C(/C=C/c1ccccc1)N/N=C/c1ccc(F)cc1
InChIInChI=1S/C16H13FN2O/c17-15-9-6-14(7-10-15)12-18-19-16(20)11-8-13-4-2-1-3-5-13/h1-12H,(H,19,20)/b11-8+,18-12+
InChIKeyLPQYCJHJAVDWOA-BUJDNCMTSA-N
MW268.29 g/mol
LogP2.99
Rot. Bonds4

About (E)-N-[(E)-(4-fluorophenyl)methylideneamino]-3-phenylprop-2-enamide

(E)-N-[(E)-(4-fluorophenyl)methylideneamino]-3-phenylprop-2-enamide (PubChem CID 66572432) has the molecular formula C16H13FN2O and a molecular weight of 268.29 g/mol. Its IUPAC name is (E)-N-[(E)-(4-fluorophenyl)methylideneamino]-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[(E)-(4-fluorophenyl)methylideneamino]-3-phenylprop-2-enamide
PubChem CID66572432
Molecular FormulaC16H13FN2O
Molecular Weight268.29 g/mol
Exact Mass268.10
IUPAC Name(E)-N-[(E)-(4-fluorophenyl)methylideneamino]-3-phenylprop-2-enamide
SMILESO=C(/C=C/c1ccccc1)N/N=C/c1ccc(F)cc1
InChIInChI=1S/C16H13FN2O/c17-15-9-6-14(7-10-15)12-18-19-16(20)11-8-13-4-2-1-3-5-13/h1-12H,(H,19,20)/b11-8+,18-12+
InChIKeyLPQYCJHJAVDWOA-BUJDNCMTSA-N
XLogP2.99
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N-[(E)-(4-fluorophenyl)methylideneamino]-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-[(E)-(4-fluorophenyl)methylideneamino]-3-phenylprop-2-enamide (CID 66572432) is (E)-N-[(E)-(4-fluorophenyl)methylideneamino]-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-[(E)-(4-fluorophenyl)methylideneamino]-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-[(E)-(4-fluorophenyl)methylideneamino]-3-phenylprop-2-enamide is O=C(/C=C/c1ccccc1)N/N=C/c1ccc(F)cc1.
What is the InChIKey of (E)-N-[(E)-(4-fluorophenyl)methylideneamino]-3-phenylprop-2-enamide?
The InChIKey is LPQYCJHJAVDWOA-BUJDNCMTSA-N. The full InChI is InChI=1S/C16H13FN2O/c17-15-9-6-14(7-10-15)12-18-19-16(20)11-8-13-4-2-1-3-5-13/h1-12H,(H,19,20)/b11-8+,18-12+.
What are the key properties of (E)-N-[(E)-(4-fluorophenyl)methylideneamino]-3-phenylprop-2-enamide?
(E)-N-[(E)-(4-fluorophenyl)methylideneamino]-3-phenylprop-2-enamide has a molecular weight of 268.29 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(E)-(4-fluorophenyl)methylideneamino]-3-phenylprop-2-enamide is sourced from PubChem (CID 66572432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).