[(E)-1-[4-(2-fluorophenyl)phenyl]propylideneamino] N-phenylcarbamate

C22H19FN2O2 — CID 45108664

IUPAC[(E)-1-[4-(2-fluorophenyl)phenyl]propylideneamino] N-phenylcarbamate
SMILESCC/C(=N\OC(=O)Nc1ccccc1)c1ccc(-c2ccccc2F)cc1
InChIInChI=1S/C22H19FN2O2/c1-2-21(25-27-22(26)24-18-8-4-3-5-9-18)17-14-12-16(13-15-17)19-10-6-7-11-20(19)23/h3-15H,2H2,1H3,(H,24,26)/b25-21+
InChIKeyTTWICNZMUKQRGG-NJNXFGOHSA-N
MW362.40 g/mol
LogP5.86
Rot. Bonds5

About [(E)-1-[4-(2-fluorophenyl)phenyl]propylideneamino] N-phenylcarbamate

[(E)-1-[4-(2-fluorophenyl)phenyl]propylideneamino] N-phenylcarbamate (PubChem CID 45108664) has the molecular formula C22H19FN2O2 and a molecular weight of 362.40 g/mol. Its IUPAC name is [(E)-1-[4-(2-fluorophenyl)phenyl]propylideneamino] N-phenylcarbamate.

Molecular Properties

Compound Name[(E)-1-[4-(2-fluorophenyl)phenyl]propylideneamino] N-phenylcarbamate
PubChem CID45108664
Molecular FormulaC22H19FN2O2
Molecular Weight362.40 g/mol
Exact Mass362.14
IUPAC Name[(E)-1-[4-(2-fluorophenyl)phenyl]propylideneamino] N-phenylcarbamate
SMILESCC/C(=N\OC(=O)Nc1ccccc1)c1ccc(-c2ccccc2F)cc1
InChIInChI=1S/C22H19FN2O2/c1-2-21(25-27-22(26)24-18-8-4-3-5-9-18)17-14-12-16(13-15-17)19-10-6-7-11-20(19)23/h3-15H,2H2,1H3,(H,24,26)/b25-21+
InChIKeyTTWICNZMUKQRGG-NJNXFGOHSA-N
XLogP5.86
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.40
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', '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)-1-[4-(2-fluorophenyl)phenyl]propylideneamino] N-phenylcarbamate?
The IUPAC name of [(E)-1-[4-(2-fluorophenyl)phenyl]propylideneamino] N-phenylcarbamate (CID 45108664) is [(E)-1-[4-(2-fluorophenyl)phenyl]propylideneamino] N-phenylcarbamate.
What is the SMILES notation for [(E)-1-[4-(2-fluorophenyl)phenyl]propylideneamino] N-phenylcarbamate?
The canonical SMILES for [(E)-1-[4-(2-fluorophenyl)phenyl]propylideneamino] N-phenylcarbamate is CC/C(=N\OC(=O)Nc1ccccc1)c1ccc(-c2ccccc2F)cc1.
What is the InChIKey of [(E)-1-[4-(2-fluorophenyl)phenyl]propylideneamino] N-phenylcarbamate?
The InChIKey is TTWICNZMUKQRGG-NJNXFGOHSA-N. The full InChI is InChI=1S/C22H19FN2O2/c1-2-21(25-27-22(26)24-18-8-4-3-5-9-18)17-14-12-16(13-15-17)19-10-6-7-11-20(19)23/h3-15H,2H2,1H3,(H,24,26)/b25-21+.
What are the key properties of [(E)-1-[4-(2-fluorophenyl)phenyl]propylideneamino] N-phenylcarbamate?
[(E)-1-[4-(2-fluorophenyl)phenyl]propylideneamino] N-phenylcarbamate has a molecular weight of 362.40 g/mol, XLogP of 5.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-1-[4-(2-fluorophenyl)phenyl]propylideneamino] N-phenylcarbamate is sourced from PubChem (CID 45108664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).