N-[(E)-(2,4-dichlorophenyl)methylideneamino]-2-phenylacetamide

C15H12Cl2N2O — CID 5332592

IUPACN-[(E)-(2,4-dichlorophenyl)methylideneamino]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)N/N=C/c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H12Cl2N2O/c16-13-7-6-12(14(17)9-13)10-18-19-15(20)8-11-4-2-1-3-5-11/h1-7,9-10H,8H2,(H,19,20)/b18-10+
InChIKeyVYZWRDWAGCDDDI-VCHYOVAHSA-N
MW307.18 g/mol
LogP3.69
Rot. Bonds4

About N-[(E)-(2,4-dichlorophenyl)methylideneamino]-2-phenylacetamide

N-[(E)-(2,4-dichlorophenyl)methylideneamino]-2-phenylacetamide (PubChem CID 5332592) has the molecular formula C15H12Cl2N2O and a molecular weight of 307.18 g/mol. Its IUPAC name is N-[(E)-(2,4-dichlorophenyl)methylideneamino]-2-phenylacetamide.

Molecular Properties

Compound NameN-[(E)-(2,4-dichlorophenyl)methylideneamino]-2-phenylacetamide
PubChem CID5332592
Molecular FormulaC15H12Cl2N2O
Molecular Weight307.18 g/mol
Exact Mass306.03
IUPAC NameN-[(E)-(2,4-dichlorophenyl)methylideneamino]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)N/N=C/c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H12Cl2N2O/c16-13-7-6-12(14(17)9-13)10-18-19-15(20)8-11-4-2-1-3-5-11/h1-7,9-10H,8H2,(H,19,20)/b18-10+
InChIKeyVYZWRDWAGCDDDI-VCHYOVAHSA-N
XLogP3.69
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.18
LogP ≤ 53.69
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

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CID 5357417
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CID 9556731
P-Toluic (4-chlorobenzylidene)hydrazide
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Benzylidenehydrazine derivative, 18
CID 42618303
N,N'-bis[(4-chlorophenyl)methylideneamino]hexanediamide
CID 241697
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Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2,4-dichlorophenyl)methylideneamino]-2-phenylacetamide?
The IUPAC name of N-[(E)-(2,4-dichlorophenyl)methylideneamino]-2-phenylacetamide (CID 5332592) is N-[(E)-(2,4-dichlorophenyl)methylideneamino]-2-phenylacetamide.
What is the SMILES notation for N-[(E)-(2,4-dichlorophenyl)methylideneamino]-2-phenylacetamide?
The canonical SMILES for N-[(E)-(2,4-dichlorophenyl)methylideneamino]-2-phenylacetamide is O=C(Cc1ccccc1)N/N=C/c1ccc(Cl)cc1Cl.
What is the InChIKey of N-[(E)-(2,4-dichlorophenyl)methylideneamino]-2-phenylacetamide?
The InChIKey is VYZWRDWAGCDDDI-VCHYOVAHSA-N. The full InChI is InChI=1S/C15H12Cl2N2O/c16-13-7-6-12(14(17)9-13)10-18-19-15(20)8-11-4-2-1-3-5-11/h1-7,9-10H,8H2,(H,19,20)/b18-10+.
What are the key properties of N-[(E)-(2,4-dichlorophenyl)methylideneamino]-2-phenylacetamide?
N-[(E)-(2,4-dichlorophenyl)methylideneamino]-2-phenylacetamide has a molecular weight of 307.18 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2,4-dichlorophenyl)methylideneamino]-2-phenylacetamide is sourced from PubChem (CID 5332592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).