N-[(E)-benzylideneamino]-2-(4-chlorophenyl)acetamide

C15H13ClN2O — CID 5333757

IUPACN-[(E)-benzylideneamino]-2-(4-chlorophenyl)acetamide
SMILESO=C(Cc1ccc(Cl)cc1)N/N=C/c1ccccc1
InChIInChI=1S/C15H13ClN2O/c16-14-8-6-12(7-9-14)10-15(19)18-17-11-13-4-2-1-3-5-13/h1-9,11H,10H2,(H,18,19)/b17-11+
InChIKeyBTIQROIQLIVGNC-GZTJUZNOSA-N
MW272.74 g/mol
LogP3.03
Rot. Bonds4

About N-[(E)-benzylideneamino]-2-(4-chlorophenyl)acetamide

N-[(E)-benzylideneamino]-2-(4-chlorophenyl)acetamide (PubChem CID 5333757) has the molecular formula C15H13ClN2O and a molecular weight of 272.74 g/mol. Its IUPAC name is N-[(E)-benzylideneamino]-2-(4-chlorophenyl)acetamide.

Molecular Properties

Compound NameN-[(E)-benzylideneamino]-2-(4-chlorophenyl)acetamide
PubChem CID5333757
Molecular FormulaC15H13ClN2O
Molecular Weight272.74 g/mol
Exact Mass272.07
IUPAC NameN-[(E)-benzylideneamino]-2-(4-chlorophenyl)acetamide
SMILESO=C(Cc1ccc(Cl)cc1)N/N=C/c1ccccc1
InChIInChI=1S/C15H13ClN2O/c16-14-8-6-12(7-9-14)10-15(19)18-17-11-13-4-2-1-3-5-13/h1-9,11H,10H2,(H,18,19)/b17-11+
InChIKeyBTIQROIQLIVGNC-GZTJUZNOSA-N
XLogP3.03
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.74
LogP ≤ 53.03
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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Related Compounds

6-(4-Chlorophenyl)-4,5-Dihydropyridazin-3(2H)-One
CID 120990
N'-[(E)-(2-chlorophenyl)methylidene]benzohydrazide
CID 6861473
n'-(3-Chlorobenzylidene)benzohydrazide
CID 6861478
N'-[(E)-(4-chlorophenyl)methylidene]benzohydrazide
CID 6861534
2-(4-Chlorophenyl)acetohydrazide
CID 456734
CID 5357417
CID 5357417
(4-Chloro-phenyl)-acetic acid [1-(4-fluoro-phenyl)-ethylidene]-hydrazide
CID 5439289
N'-[(4-chlorophenyl)methylene]-2-cyanoacetohydrazide
CID 6899042
N'-[(E)-(4-chlorophenyl)methylidene]spiro[2.3]hexane-1-carbohydrazide
CID 9585102
P-Toluic (4-chlorobenzylidene)hydrazide
CID 6876540
6-Chloro-1,2-dihydrophthalazin-1-one
CID 12298541
Benzylidenehydrazine derivative, 18
CID 42618303

Frequently Asked Questions

What is the IUPAC name of N-[(E)-benzylideneamino]-2-(4-chlorophenyl)acetamide?
The IUPAC name of N-[(E)-benzylideneamino]-2-(4-chlorophenyl)acetamide (CID 5333757) is N-[(E)-benzylideneamino]-2-(4-chlorophenyl)acetamide.
What is the SMILES notation for N-[(E)-benzylideneamino]-2-(4-chlorophenyl)acetamide?
The canonical SMILES for N-[(E)-benzylideneamino]-2-(4-chlorophenyl)acetamide is O=C(Cc1ccc(Cl)cc1)N/N=C/c1ccccc1.
What is the InChIKey of N-[(E)-benzylideneamino]-2-(4-chlorophenyl)acetamide?
The InChIKey is BTIQROIQLIVGNC-GZTJUZNOSA-N. The full InChI is InChI=1S/C15H13ClN2O/c16-14-8-6-12(7-9-14)10-15(19)18-17-11-13-4-2-1-3-5-13/h1-9,11H,10H2,(H,18,19)/b17-11+.
What are the key properties of N-[(E)-benzylideneamino]-2-(4-chlorophenyl)acetamide?
N-[(E)-benzylideneamino]-2-(4-chlorophenyl)acetamide has a molecular weight of 272.74 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-benzylideneamino]-2-(4-chlorophenyl)acetamide is sourced from PubChem (CID 5333757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).