2-(4-chloroanilino)-N-[(4-chlorophenyl)methylideneamino]acetamide

C15H13Cl2N3O — CID 690289

IUPAC2-(4-chloroanilino)-N-[(4-chlorophenyl)methylideneamino]acetamide
SMILESO=C(CNc1ccc(Cl)cc1)NN=Cc1ccc(Cl)cc1
InChIInChI=1S/C15H13Cl2N3O/c16-12-3-1-11(2-4-12)9-19-20-15(21)10-18-14-7-5-13(17)6-8-14/h1-9,18H,10H2,(H,20,21)
InChIKeyPIUQRUJPYPGFIA-UHFFFAOYSA-N
MW322.20 g/mol
LogP3.56
Rot. Bonds5

About 2-(4-chloroanilino)-N-[(4-chlorophenyl)methylideneamino]acetamide

2-(4-chloroanilino)-N-[(4-chlorophenyl)methylideneamino]acetamide (PubChem CID 690289) has the molecular formula C15H13Cl2N3O and a molecular weight of 322.20 g/mol. Its IUPAC name is 2-(4-chloroanilino)-N-[(4-chlorophenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-chloroanilino)-N-[(4-chlorophenyl)methylideneamino]acetamide
PubChem CID690289
Molecular FormulaC15H13Cl2N3O
Molecular Weight322.20 g/mol
Exact Mass321.04
IUPAC Name2-(4-chloroanilino)-N-[(4-chlorophenyl)methylideneamino]acetamide
SMILESO=C(CNc1ccc(Cl)cc1)NN=Cc1ccc(Cl)cc1
InChIInChI=1S/C15H13Cl2N3O/c16-12-3-1-11(2-4-12)9-19-20-15(21)10-18-14-7-5-13(17)6-8-14/h1-9,18H,10H2,(H,20,21)
InChIKeyPIUQRUJPYPGFIA-UHFFFAOYSA-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

N-[(4-chlorophenyl)methylideneamino]-2-(4-methylanilino)acetamide
CID 689465
N-[(4-chlorophenyl)methylideneamino]-2-(4-iodoanilino)acetamide
CID 1376174
2-(4-chloroanilino)-N-[(Z)-(4-nitrophenyl)methylideneamino]acetamide
CID 5392445
2-anilino-N-[(Z)-(4-anilinophenyl)methylideneamino]acetamide
CID 7601999
2-(4-chloroanilino)-N-[(Z)-[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]acetamide
CID 126368921
N,N'-bis[(4-chlorophenyl)methylideneamino]nonanediamide
CID 3703961
4-chloro-N-[2-[(2Z)-2-[(4-chlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 6172797
2-(4-chloroanilino)-N-[(Z)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]acetamide
CID 126371391
2-anilino-N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]acetamide
CID 7784431
N-[(4-chlorophenyl)methylideneamino]-2-(2,4-dimethylanilino)acetamide
CID 968022
2-(4-chloroanilino)-N-[(Z)-(3-nitrophenyl)methylideneamino]acetamide
CID 5390803
N-[(4-fluorophenyl)methylideneamino]-2-(4-iodoanilino)acetamide
CID 1376291

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloroanilino)-N-[(4-chlorophenyl)methylideneamino]acetamide?
The IUPAC name of 2-(4-chloroanilino)-N-[(4-chlorophenyl)methylideneamino]acetamide (CID 690289) is 2-(4-chloroanilino)-N-[(4-chlorophenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(4-chloroanilino)-N-[(4-chlorophenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(4-chloroanilino)-N-[(4-chlorophenyl)methylideneamino]acetamide is O=C(CNc1ccc(Cl)cc1)NN=Cc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chloroanilino)-N-[(4-chlorophenyl)methylideneamino]acetamide?
The InChIKey is PIUQRUJPYPGFIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2N3O/c16-12-3-1-11(2-4-12)9-19-20-15(21)10-18-14-7-5-13(17)6-8-14/h1-9,18H,10H2,(H,20,21).
What are the key properties of 2-(4-chloroanilino)-N-[(4-chlorophenyl)methylideneamino]acetamide?
2-(4-chloroanilino)-N-[(4-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-(4-chloroanilino)-N-[(4-chlorophenyl)methylideneamino]acetamide is sourced from PubChem (CID 690289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).