[1-(4-fluorophenyl)ethylideneamino] 4-chlorobenzoate

C15H11ClFNO2 — CID 2803461

IUPAC[1-(4-fluorophenyl)ethylideneamino] 4-chlorobenzoate
SMILESCC(=NOC(=O)c1ccc(Cl)cc1)c1ccc(F)cc1
InChIInChI=1S/C15H11ClFNO2/c1-10(11-4-8-14(17)9-5-11)18-20-15(19)12-2-6-13(16)7-3-12/h2-9H,1H3
InChIKeyOVXJLMSGAWNRMC-UHFFFAOYSA-N
MW291.71 g/mol
LogP4.06
Rot. Bonds3

About [1-(4-fluorophenyl)ethylideneamino] 4-chlorobenzoate

[1-(4-fluorophenyl)ethylideneamino] 4-chlorobenzoate (PubChem CID 2803461) has the molecular formula C15H11ClFNO2 and a molecular weight of 291.71 g/mol. Its IUPAC name is [1-(4-fluorophenyl)ethylideneamino] 4-chlorobenzoate.

Molecular Properties

Compound Name[1-(4-fluorophenyl)ethylideneamino] 4-chlorobenzoate
PubChem CID2803461
Molecular FormulaC15H11ClFNO2
Molecular Weight291.71 g/mol
Exact Mass291.05
IUPAC Name[1-(4-fluorophenyl)ethylideneamino] 4-chlorobenzoate
SMILESCC(=NOC(=O)c1ccc(Cl)cc1)c1ccc(F)cc1
InChIInChI=1S/C15H11ClFNO2/c1-10(11-4-8-14(17)9-5-11)18-20-15(19)12-2-6-13(16)7-3-12/h2-9H,1H3
InChIKeyOVXJLMSGAWNRMC-UHFFFAOYSA-N
XLogP4.06
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.71
LogP ≤ 54.06
H-Bond Donors ≤ 50
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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Related Compounds

[(Z)-[amino-(4-fluorophenyl)methylidene]amino] 4-chlorobenzoate
CID 19292058
[(E)-1-(2-hydroxyphenyl)ethylideneamino] 4-chlorobenzoate
CID 135520583
[1-(3,4-difluorophenyl)ethylideneamino] 4-tert-butylbenzoate
CID 2799902
[(E)-[amino-(4-chlorophenyl)methylidene]amino] 4-methylbenzoate
CID 5372333
(E)-1-(4-chlorophenyl)-N-[(E)-1,1,1,4,4,4-hexafluorobut-2-en-2-yl]oxyethanimine
CID 172946967
bis(4-chlorophenyl)methanone;bis(4-fluorophenyl)methanone
CID 159883474
1-(4-fluorophenyl)-N-[[1-(4-fluorophenyl)ethylideneamino]oxymethoxy]ethanimine
CID 2827934
[[amino-(4-chlorophenyl)methylidene]amino] 4-iodobenzoate
CID 2890265
[[amino-(4-bromophenyl)methylidene]amino] 4-chlorobenzoate
CID 2869302
dimethylamino 4-chlorobenzoate
CID 134848983
dimethylamino 4-fluorobenzoate
CID 134848619
(4-chlorobenzoyl) 4-chlorobenzenecarboperoxoate
CID 7179

Frequently Asked Questions

What is the IUPAC name of [1-(4-fluorophenyl)ethylideneamino] 4-chlorobenzoate?
The IUPAC name of [1-(4-fluorophenyl)ethylideneamino] 4-chlorobenzoate (CID 2803461) is [1-(4-fluorophenyl)ethylideneamino] 4-chlorobenzoate.
What is the SMILES notation for [1-(4-fluorophenyl)ethylideneamino] 4-chlorobenzoate?
The canonical SMILES for [1-(4-fluorophenyl)ethylideneamino] 4-chlorobenzoate is CC(=NOC(=O)c1ccc(Cl)cc1)c1ccc(F)cc1.
What is the InChIKey of [1-(4-fluorophenyl)ethylideneamino] 4-chlorobenzoate?
The InChIKey is OVXJLMSGAWNRMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClFNO2/c1-10(11-4-8-14(17)9-5-11)18-20-15(19)12-2-6-13(16)7-3-12/h2-9H,1H3.
What are the key properties of [1-(4-fluorophenyl)ethylideneamino] 4-chlorobenzoate?
[1-(4-fluorophenyl)ethylideneamino] 4-chlorobenzoate has a molecular weight of 291.71 g/mol, XLogP of 4.06, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-fluorophenyl)ethylideneamino] 4-chlorobenzoate is sourced from PubChem (CID 2803461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).