2-(4-chlorophenyl)-N-[(E)-1-(4-fluorophenyl)ethylideneamino]acetamide

C16H14ClFN2O — CID 5439289

IUPAC2-(4-chlorophenyl)-N-[(E)-1-(4-fluorophenyl)ethylideneamino]acetamide
SMILESC/C(=N\NC(=O)Cc1ccc(Cl)cc1)c1ccc(F)cc1
InChIInChI=1S/C16H14ClFN2O/c1-11(13-4-8-15(18)9-5-13)19-20-16(21)10-12-2-6-14(17)7-3-12/h2-9H,10H2,1H3,(H,20,21)/b19-11+
InChIKeyHGTWOLHWCSCZAX-YBFXNURJSA-N
MW304.75 g/mol
LogP3.56
Rot. Bonds4

About 2-(4-chlorophenyl)-N-[(E)-1-(4-fluorophenyl)ethylideneamino]acetamide

2-(4-chlorophenyl)-N-[(E)-1-(4-fluorophenyl)ethylideneamino]acetamide (PubChem CID 5439289) has the molecular formula C16H14ClFN2O and a molecular weight of 304.75 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[(E)-1-(4-fluorophenyl)ethylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[(E)-1-(4-fluorophenyl)ethylideneamino]acetamide
PubChem CID5439289
Molecular FormulaC16H14ClFN2O
Molecular Weight304.75 g/mol
Exact Mass304.08
IUPAC Name2-(4-chlorophenyl)-N-[(E)-1-(4-fluorophenyl)ethylideneamino]acetamide
SMILESC/C(=N\NC(=O)Cc1ccc(Cl)cc1)c1ccc(F)cc1
InChIInChI=1S/C16H14ClFN2O/c1-11(13-4-8-15(18)9-5-13)19-20-16(21)10-12-2-6-14(17)7-3-12/h2-9H,10H2,1H3,(H,20,21)/b19-11+
InChIKeyHGTWOLHWCSCZAX-YBFXNURJSA-N
XLogP3.56
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.75
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_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 2-(4-chlorophenyl)-N-[(E)-1-(4-fluorophenyl)ethylideneamino]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[(E)-1-(4-fluorophenyl)ethylideneamino]acetamide (CID 5439289) is 2-(4-chlorophenyl)-N-[(E)-1-(4-fluorophenyl)ethylideneamino]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[(E)-1-(4-fluorophenyl)ethylideneamino]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[(E)-1-(4-fluorophenyl)ethylideneamino]acetamide is C/C(=N\NC(=O)Cc1ccc(Cl)cc1)c1ccc(F)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[(E)-1-(4-fluorophenyl)ethylideneamino]acetamide?
The InChIKey is HGTWOLHWCSCZAX-YBFXNURJSA-N. The full InChI is InChI=1S/C16H14ClFN2O/c1-11(13-4-8-15(18)9-5-13)19-20-16(21)10-12-2-6-14(17)7-3-12/h2-9H,10H2,1H3,(H,20,21)/b19-11+.
What are the key properties of 2-(4-chlorophenyl)-N-[(E)-1-(4-fluorophenyl)ethylideneamino]acetamide?
2-(4-chlorophenyl)-N-[(E)-1-(4-fluorophenyl)ethylideneamino]acetamide has a molecular weight of 304.75 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[(E)-1-(4-fluorophenyl)ethylideneamino]acetamide is sourced from PubChem (CID 5439289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).