N-[(E)-(2-chlorophenyl)methylideneamino]-2-phenylacetamide

C15H13ClN2O — CID 5332588

IUPACN-[(E)-(2-chlorophenyl)methylideneamino]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)N/N=C/c1ccccc1Cl
InChIInChI=1S/C15H13ClN2O/c16-14-9-5-4-8-13(14)11-17-18-15(19)10-12-6-2-1-3-7-12/h1-9,11H,10H2,(H,18,19)/b17-11+
InChIKeyMVDMOGDXAHTQEU-GZTJUZNOSA-N
MW272.74 g/mol
LogP3.03
Rot. Bonds4

About N-[(E)-(2-chlorophenyl)methylideneamino]-2-phenylacetamide

N-[(E)-(2-chlorophenyl)methylideneamino]-2-phenylacetamide (PubChem CID 5332588) has the molecular formula C15H13ClN2O and a molecular weight of 272.74 g/mol. Its IUPAC name is N-[(E)-(2-chlorophenyl)methylideneamino]-2-phenylacetamide.

Molecular Properties

Compound NameN-[(E)-(2-chlorophenyl)methylideneamino]-2-phenylacetamide
PubChem CID5332588
Molecular FormulaC15H13ClN2O
Molecular Weight272.74 g/mol
Exact Mass272.07
IUPAC NameN-[(E)-(2-chlorophenyl)methylideneamino]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)N/N=C/c1ccccc1Cl
InChIInChI=1S/C15H13ClN2O/c16-14-9-5-4-8-13(14)11-17-18-15(19)10-12-6-2-1-3-7-12/h1-9,11H,10H2,(H,18,19)/b17-11+
InChIKeyMVDMOGDXAHTQEU-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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Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-chlorophenyl)methylideneamino]-2-phenylacetamide?
The IUPAC name of N-[(E)-(2-chlorophenyl)methylideneamino]-2-phenylacetamide (CID 5332588) is N-[(E)-(2-chlorophenyl)methylideneamino]-2-phenylacetamide.
What is the SMILES notation for N-[(E)-(2-chlorophenyl)methylideneamino]-2-phenylacetamide?
The canonical SMILES for N-[(E)-(2-chlorophenyl)methylideneamino]-2-phenylacetamide is O=C(Cc1ccccc1)N/N=C/c1ccccc1Cl.
What is the InChIKey of N-[(E)-(2-chlorophenyl)methylideneamino]-2-phenylacetamide?
The InChIKey is MVDMOGDXAHTQEU-GZTJUZNOSA-N. The full InChI is InChI=1S/C15H13ClN2O/c16-14-9-5-4-8-13(14)11-17-18-15(19)10-12-6-2-1-3-7-12/h1-9,11H,10H2,(H,18,19)/b17-11+.
What are the key properties of N-[(E)-(2-chlorophenyl)methylideneamino]-2-phenylacetamide?
N-[(E)-(2-chlorophenyl)methylideneamino]-2-phenylacetamide 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)-(2-chlorophenyl)methylideneamino]-2-phenylacetamide is sourced from PubChem (CID 5332588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).