N-[(1S)-1-(4-fluorophenyl)prop-2-enyl]-N-phenylmethoxybenzamide

C23H20FNO2 — CID 53248121

IUPACN-[(1S)-1-(4-fluorophenyl)prop-2-enyl]-N-phenylmethoxybenzamide
SMILESC=C[C@@H](c1ccc(F)cc1)N(OCc1ccccc1)C(=O)c1ccccc1
InChIInChI=1S/C23H20FNO2/c1-2-22(19-13-15-21(24)16-14-19)25(23(26)20-11-7-4-8-12-20)27-17-18-9-5-3-6-10-18/h2-16,22H,1,17H2/t22-/m0/s1
InChIKeyRAOCGUDSCPSQDM-QFIPXVFZSA-N
MW361.42 g/mol
LogP5.33
Rot. Bonds7

About N-[(1S)-1-(4-fluorophenyl)prop-2-enyl]-N-phenylmethoxybenzamide

N-[(1S)-1-(4-fluorophenyl)prop-2-enyl]-N-phenylmethoxybenzamide (PubChem CID 53248121) has the molecular formula C23H20FNO2 and a molecular weight of 361.42 g/mol. Its IUPAC name is N-[(1S)-1-(4-fluorophenyl)prop-2-enyl]-N-phenylmethoxybenzamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-fluorophenyl)prop-2-enyl]-N-phenylmethoxybenzamide
PubChem CID53248121
Molecular FormulaC23H20FNO2
Molecular Weight361.42 g/mol
Exact Mass361.15
IUPAC NameN-[(1S)-1-(4-fluorophenyl)prop-2-enyl]-N-phenylmethoxybenzamide
SMILESC=C[C@@H](c1ccc(F)cc1)N(OCc1ccccc1)C(=O)c1ccccc1
InChIInChI=1S/C23H20FNO2/c1-2-22(19-13-15-21(24)16-14-19)25(23(26)20-11-7-4-8-12-20)27-17-18-9-5-3-6-10-18/h2-16,22H,1,17H2/t22-/m0/s1
InChIKeyRAOCGUDSCPSQDM-QFIPXVFZSA-N
XLogP5.33
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 ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', '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 N-[(1S)-1-(4-fluorophenyl)prop-2-enyl]-N-phenylmethoxybenzamide?
The IUPAC name of N-[(1S)-1-(4-fluorophenyl)prop-2-enyl]-N-phenylmethoxybenzamide (CID 53248121) is N-[(1S)-1-(4-fluorophenyl)prop-2-enyl]-N-phenylmethoxybenzamide.
What is the SMILES notation for N-[(1S)-1-(4-fluorophenyl)prop-2-enyl]-N-phenylmethoxybenzamide?
The canonical SMILES for N-[(1S)-1-(4-fluorophenyl)prop-2-enyl]-N-phenylmethoxybenzamide is C=C[C@@H](c1ccc(F)cc1)N(OCc1ccccc1)C(=O)c1ccccc1.
What is the InChIKey of N-[(1S)-1-(4-fluorophenyl)prop-2-enyl]-N-phenylmethoxybenzamide?
The InChIKey is RAOCGUDSCPSQDM-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H20FNO2/c1-2-22(19-13-15-21(24)16-14-19)25(23(26)20-11-7-4-8-12-20)27-17-18-9-5-3-6-10-18/h2-16,22H,1,17H2/t22-/m0/s1.
What are the key properties of N-[(1S)-1-(4-fluorophenyl)prop-2-enyl]-N-phenylmethoxybenzamide?
N-[(1S)-1-(4-fluorophenyl)prop-2-enyl]-N-phenylmethoxybenzamide has a molecular weight of 361.42 g/mol, XLogP of 5.33, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-fluorophenyl)prop-2-enyl]-N-phenylmethoxybenzamide is sourced from PubChem (CID 53248121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).