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

C15H13Cl2N3O — CID 5427729

IUPAC2-(2-chloroanilino)-N-[(Z)-(3-chlorophenyl)methylideneamino]acetamide
SMILESO=C(CNc1ccccc1Cl)N/N=C\c1cccc(Cl)c1
InChIInChI=1S/C15H13Cl2N3O/c16-12-5-3-4-11(8-12)9-19-20-15(21)10-18-14-7-2-1-6-13(14)17/h1-9,18H,10H2,(H,20,21)/b19-9-
InChIKeyOCBAUJXITBFUAA-OCKHKDLRSA-N
MW322.20 g/mol
LogP3.56
Rot. Bonds5

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

2-(2-chloroanilino)-N-[(Z)-(3-chlorophenyl)methylideneamino]acetamide (PubChem CID 5427729) has the molecular formula C15H13Cl2N3O and a molecular weight of 322.20 g/mol. Its IUPAC name is 2-(2-chloroanilino)-N-[(Z)-(3-chlorophenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(2-chloroanilino)-N-[(Z)-(3-chlorophenyl)methylideneamino]acetamide
PubChem CID5427729
Molecular FormulaC15H13Cl2N3O
Molecular Weight322.20 g/mol
Exact Mass321.04
IUPAC Name2-(2-chloroanilino)-N-[(Z)-(3-chlorophenyl)methylideneamino]acetamide
SMILESO=C(CNc1ccccc1Cl)N/N=C\c1cccc(Cl)c1
InChIInChI=1S/C15H13Cl2N3O/c16-12-5-3-4-11(8-12)9-19-20-15(21)10-18-14-7-2-1-6-13(14)17/h1-9,18H,10H2,(H,20,21)/b19-9-
InChIKeyOCBAUJXITBFUAA-OCKHKDLRSA-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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Related Compounds

2-(2-chloroanilino)-N-[(3-hydroxyphenyl)methylideneamino]acetamide
CID 695102
N-[(Z)-benzylideneamino]-2-(2-chloroanilino)acetamide
CID 5427716
N,N'-bis[(3-chlorophenyl)methylideneamino]propanediamide
CID 3386676
2-(2-chloroanilino)-N-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]acetamide
CID 136649492
N-(benzylideneamino)-2-(3-chloro-2-methylanilino)acetamide
CID 968237
N-(2-chlorophenyl)-N'-[(E)-(3-chlorophenyl)methylideneamino]oxamide
CID 6871246
2-(2-chloroanilino)-N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]acetamide
CID 136866501
2-(3-bromoanilino)-N-[(E)-(3-chlorophenyl)methylideneamino]acetamide
CID 19617349
2-(2-chloroanilino)-N-[(4-cyanophenyl)methylideneamino]acetamide
CID 967968
2-chloro-N-[(3-chlorophenyl)methylideneamino]benzamide
CID 689911
2-(2-chloroanilino)-N-[(2-methylphenyl)methylideneamino]acetamide
CID 968113
N-[(3,4-dichlorophenyl)methylideneamino]-2-(2-methylanilino)acetamide
CID 4111290

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroanilino)-N-[(Z)-(3-chlorophenyl)methylideneamino]acetamide?
The IUPAC name of 2-(2-chloroanilino)-N-[(Z)-(3-chlorophenyl)methylideneamino]acetamide (CID 5427729) is 2-(2-chloroanilino)-N-[(Z)-(3-chlorophenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(2-chloroanilino)-N-[(Z)-(3-chlorophenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(2-chloroanilino)-N-[(Z)-(3-chlorophenyl)methylideneamino]acetamide is O=C(CNc1ccccc1Cl)N/N=C\c1cccc(Cl)c1.
What is the InChIKey of 2-(2-chloroanilino)-N-[(Z)-(3-chlorophenyl)methylideneamino]acetamide?
The InChIKey is OCBAUJXITBFUAA-OCKHKDLRSA-N. The full InChI is InChI=1S/C15H13Cl2N3O/c16-12-5-3-4-11(8-12)9-19-20-15(21)10-18-14-7-2-1-6-13(14)17/h1-9,18H,10H2,(H,20,21)/b19-9-.
What are the key properties of 2-(2-chloroanilino)-N-[(Z)-(3-chlorophenyl)methylideneamino]acetamide?
2-(2-chloroanilino)-N-[(Z)-(3-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-(2-chloroanilino)-N-[(Z)-(3-chlorophenyl)methylideneamino]acetamide is sourced from PubChem (CID 5427729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).