2-(3-chloroanilino)-N-[(E)-(2-chlorophenyl)methylideneamino]acetamide

C15H13Cl2N3O — CID 71699768

IUPAC2-(3-chloroanilino)-N-[(E)-(2-chlorophenyl)methylideneamino]acetamide
SMILESO=C(CNc1cccc(Cl)c1)N/N=C/c1ccccc1Cl
InChIInChI=1S/C15H13Cl2N3O/c16-12-5-3-6-13(8-12)18-10-15(21)20-19-9-11-4-1-2-7-14(11)17/h1-9,18H,10H2,(H,20,21)/b19-9+
InChIKeyXUDPBFKCBAPFNB-DJKKODMXSA-N
MW322.20 g/mol
LogP3.56
Rot. Bonds5

About 2-(3-chloroanilino)-N-[(E)-(2-chlorophenyl)methylideneamino]acetamide

2-(3-chloroanilino)-N-[(E)-(2-chlorophenyl)methylideneamino]acetamide (PubChem CID 71699768) has the molecular formula C15H13Cl2N3O and a molecular weight of 322.20 g/mol. Its IUPAC name is 2-(3-chloroanilino)-N-[(E)-(2-chlorophenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(3-chloroanilino)-N-[(E)-(2-chlorophenyl)methylideneamino]acetamide
PubChem CID71699768
Molecular FormulaC15H13Cl2N3O
Molecular Weight322.20 g/mol
Exact Mass321.04
IUPAC Name2-(3-chloroanilino)-N-[(E)-(2-chlorophenyl)methylideneamino]acetamide
SMILESO=C(CNc1cccc(Cl)c1)N/N=C/c1ccccc1Cl
InChIInChI=1S/C15H13Cl2N3O/c16-12-5-3-6-13(8-12)18-10-15(21)20-19-9-11-4-1-2-7-14(11)17/h1-9,18H,10H2,(H,20,21)/b19-9+
InChIKeyXUDPBFKCBAPFNB-DJKKODMXSA-N
XLogP3.56
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.20
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(3-chloroanilino)-N-[(E)-(2-chlorophenyl)methylideneamino]acetamide?
The IUPAC name of 2-(3-chloroanilino)-N-[(E)-(2-chlorophenyl)methylideneamino]acetamide (CID 71699768) is 2-(3-chloroanilino)-N-[(E)-(2-chlorophenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(3-chloroanilino)-N-[(E)-(2-chlorophenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(3-chloroanilino)-N-[(E)-(2-chlorophenyl)methylideneamino]acetamide is O=C(CNc1cccc(Cl)c1)N/N=C/c1ccccc1Cl.
What is the InChIKey of 2-(3-chloroanilino)-N-[(E)-(2-chlorophenyl)methylideneamino]acetamide?
The InChIKey is XUDPBFKCBAPFNB-DJKKODMXSA-N. The full InChI is InChI=1S/C15H13Cl2N3O/c16-12-5-3-6-13(8-12)18-10-15(21)20-19-9-11-4-1-2-7-14(11)17/h1-9,18H,10H2,(H,20,21)/b19-9+.
What are the key properties of 2-(3-chloroanilino)-N-[(E)-(2-chlorophenyl)methylideneamino]acetamide?
2-(3-chloroanilino)-N-[(E)-(2-chlorophenyl)methylideneamino]acetamide has a molecular weight of 322.20 g/mol, XLogP of 3.56, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloroanilino)-N-[(E)-(2-chlorophenyl)methylideneamino]acetamide is sourced from PubChem (CID 71699768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).