N-[(E)-3-(4-fluorophenyl)prop-2-enyl]-N-phenylmethoxybenzamide

C23H20FNO2 — CID 53248116

IUPACN-[(E)-3-(4-fluorophenyl)prop-2-enyl]-N-phenylmethoxybenzamide
SMILESO=C(c1ccccc1)N(C/C=C/c1ccc(F)cc1)OCc1ccccc1
InChIInChI=1S/C23H20FNO2/c24-22-15-13-19(14-16-22)10-7-17-25(23(26)21-11-5-2-6-12-21)27-18-20-8-3-1-4-9-20/h1-16H,17-18H2/b10-7+
InChIKeyRXWKPGPYZBWXMR-JXMROGBWSA-N
MW361.42 g/mol
LogP5.11
Rot. Bonds7

About N-[(E)-3-(4-fluorophenyl)prop-2-enyl]-N-phenylmethoxybenzamide

N-[(E)-3-(4-fluorophenyl)prop-2-enyl]-N-phenylmethoxybenzamide (PubChem CID 53248116) has the molecular formula C23H20FNO2 and a molecular weight of 361.42 g/mol. Its IUPAC name is N-[(E)-3-(4-fluorophenyl)prop-2-enyl]-N-phenylmethoxybenzamide.

Molecular Properties

Compound NameN-[(E)-3-(4-fluorophenyl)prop-2-enyl]-N-phenylmethoxybenzamide
PubChem CID53248116
Molecular FormulaC23H20FNO2
Molecular Weight361.42 g/mol
Exact Mass361.15
IUPAC NameN-[(E)-3-(4-fluorophenyl)prop-2-enyl]-N-phenylmethoxybenzamide
SMILESO=C(c1ccccc1)N(C/C=C/c1ccc(F)cc1)OCc1ccccc1
InChIInChI=1S/C23H20FNO2/c24-22-15-13-19(14-16-22)10-7-17-25(23(26)21-11-5-2-6-12-21)27-18-20-8-3-1-4-9-20/h1-16H,17-18H2/b10-7+
InChIKeyRXWKPGPYZBWXMR-JXMROGBWSA-N
XLogP5.11
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.42
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-3-(4-fluorophenyl)prop-2-enyl]-N-phenylmethoxybenzamide?
The IUPAC name of N-[(E)-3-(4-fluorophenyl)prop-2-enyl]-N-phenylmethoxybenzamide (CID 53248116) is N-[(E)-3-(4-fluorophenyl)prop-2-enyl]-N-phenylmethoxybenzamide.
What is the SMILES notation for N-[(E)-3-(4-fluorophenyl)prop-2-enyl]-N-phenylmethoxybenzamide?
The canonical SMILES for N-[(E)-3-(4-fluorophenyl)prop-2-enyl]-N-phenylmethoxybenzamide is O=C(c1ccccc1)N(C/C=C/c1ccc(F)cc1)OCc1ccccc1.
What is the InChIKey of N-[(E)-3-(4-fluorophenyl)prop-2-enyl]-N-phenylmethoxybenzamide?
The InChIKey is RXWKPGPYZBWXMR-JXMROGBWSA-N. The full InChI is InChI=1S/C23H20FNO2/c24-22-15-13-19(14-16-22)10-7-17-25(23(26)21-11-5-2-6-12-21)27-18-20-8-3-1-4-9-20/h1-16H,17-18H2/b10-7+.
What are the key properties of N-[(E)-3-(4-fluorophenyl)prop-2-enyl]-N-phenylmethoxybenzamide?
N-[(E)-3-(4-fluorophenyl)prop-2-enyl]-N-phenylmethoxybenzamide has a molecular weight of 361.42 g/mol, XLogP of 5.11, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-3-(4-fluorophenyl)prop-2-enyl]-N-phenylmethoxybenzamide is sourced from PubChem (CID 53248116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).