2,4-dichloro-N-[1-(4-chlorophenyl)ethylideneamino]benzamide

C15H11Cl3N2O — CID 904479

IUPAC2,4-dichloro-N-[1-(4-chlorophenyl)ethylideneamino]benzamide
SMILESCC(=NNC(=O)c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1
InChIInChI=1S/C15H11Cl3N2O/c1-9(10-2-4-11(16)5-3-10)19-20-15(21)13-7-6-12(17)8-14(13)18/h2-8H,1H3,(H,20,21)
InChIKeyDMUQWWDVROCPJM-UHFFFAOYSA-N
MW341.63 g/mol
LogP4.80
Rot. Bonds3

About 2,4-dichloro-N-[1-(4-chlorophenyl)ethylideneamino]benzamide

2,4-dichloro-N-[1-(4-chlorophenyl)ethylideneamino]benzamide (PubChem CID 904479) has the molecular formula C15H11Cl3N2O and a molecular weight of 341.63 g/mol. Its IUPAC name is 2,4-dichloro-N-[1-(4-chlorophenyl)ethylideneamino]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[1-(4-chlorophenyl)ethylideneamino]benzamide
PubChem CID904479
Molecular FormulaC15H11Cl3N2O
Molecular Weight341.63 g/mol
Exact Mass339.99
IUPAC Name2,4-dichloro-N-[1-(4-chlorophenyl)ethylideneamino]benzamide
SMILESCC(=NNC(=O)c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1
InChIInChI=1S/C15H11Cl3N2O/c1-9(10-2-4-11(16)5-3-10)19-20-15(21)13-7-6-12(17)8-14(13)18/h2-8H,1H3,(H,20,21)
InChIKeyDMUQWWDVROCPJM-UHFFFAOYSA-N
XLogP4.80
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.63
LogP ≤ 54.80
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

2,4-dichloro-N-[(Z)-1-(3-hydroxyphenyl)ethylideneamino]benzamide
CID 6167444
2,4-dichloro-N-[(Z)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylideneamino]benzamide
CID 6184678
3,4-dichloro-N-[(Z)-1-[4-[(2,4-dichlorobenzoyl)amino]phenyl]ethylideneamino]benzamide
CID 6177494
1-N,4-N-bis[(E)-1-(4-chlorophenyl)ethylideneamino]benzene-1,4-dicarboxamide
CID 5338733
2,4-dichloro-N-[4-[(Z)-N-[(3-chlorobenzoyl)amino]-C-methylcarbonimidoyl]phenyl]benzamide
CID 6266458
2,4-dichloro-N-[1-(4-chlorophenyl)propylideneamino]benzamide
CID 4063120
N,N'-bis[1-[4-[(2,4-dichlorobenzoyl)amino]phenyl]ethylideneamino]butanediamide
CID 3404914
4-amino-N-[(Z)-1-(2,4-dichlorophenyl)ethylideneamino]benzamide
CID 7955460
2,4-dichloro-N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]benzamide
CID 135688205
2,4-dichloro-N-[3-[N-[(2-chlorobenzoyl)amino]-C-methylcarbonimidoyl]phenyl]benzamide
CID 5078107
2,4-dichloro-N-[4-[N-[(2-methoxybenzoyl)amino]-C-methylcarbonimidoyl]phenyl]benzamide
CID 4288814
N-[(E)-1-[4-[(2,4-dichlorobenzoyl)amino]phenyl]ethylideneamino]furan-2-carboxamide
CID 27525119

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[1-(4-chlorophenyl)ethylideneamino]benzamide?
The IUPAC name of 2,4-dichloro-N-[1-(4-chlorophenyl)ethylideneamino]benzamide (CID 904479) is 2,4-dichloro-N-[1-(4-chlorophenyl)ethylideneamino]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[1-(4-chlorophenyl)ethylideneamino]benzamide?
The canonical SMILES for 2,4-dichloro-N-[1-(4-chlorophenyl)ethylideneamino]benzamide is CC(=NNC(=O)c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1.
What is the InChIKey of 2,4-dichloro-N-[1-(4-chlorophenyl)ethylideneamino]benzamide?
The InChIKey is DMUQWWDVROCPJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl3N2O/c1-9(10-2-4-11(16)5-3-10)19-20-15(21)13-7-6-12(17)8-14(13)18/h2-8H,1H3,(H,20,21).
What are the key properties of 2,4-dichloro-N-[1-(4-chlorophenyl)ethylideneamino]benzamide?
2,4-dichloro-N-[1-(4-chlorophenyl)ethylideneamino]benzamide has a molecular weight of 341.63 g/mol, XLogP of 4.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[1-(4-chlorophenyl)ethylideneamino]benzamide is sourced from PubChem (CID 904479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).