2-chloro-N-[(3-chlorophenyl)methylideneamino]-4-methylbenzamide

C15H12Cl2N2O — CID 71952071

IUPAC2-chloro-N-[(3-chlorophenyl)methylideneamino]-4-methylbenzamide
SMILESCc1ccc(C(=O)NN=Cc2cccc(Cl)c2)c(Cl)c1
InChIInChI=1S/C15H12Cl2N2O/c1-10-5-6-13(14(17)7-10)15(20)19-18-9-11-3-2-4-12(16)8-11/h2-9H,1H3,(H,19,20)
InChIKeyVSXXSCGKGIDZHD-UHFFFAOYSA-N
MW307.18 g/mol
LogP4.07
Rot. Bonds3

About 2-chloro-N-[(3-chlorophenyl)methylideneamino]-4-methylbenzamide

2-chloro-N-[(3-chlorophenyl)methylideneamino]-4-methylbenzamide (PubChem CID 71952071) has the molecular formula C15H12Cl2N2O and a molecular weight of 307.18 g/mol. Its IUPAC name is 2-chloro-N-[(3-chlorophenyl)methylideneamino]-4-methylbenzamide.

Molecular Properties

Compound Name2-chloro-N-[(3-chlorophenyl)methylideneamino]-4-methylbenzamide
PubChem CID71952071
Molecular FormulaC15H12Cl2N2O
Molecular Weight307.18 g/mol
Exact Mass306.03
IUPAC Name2-chloro-N-[(3-chlorophenyl)methylideneamino]-4-methylbenzamide
SMILESCc1ccc(C(=O)NN=Cc2cccc(Cl)c2)c(Cl)c1
InChIInChI=1S/C15H12Cl2N2O/c1-10-5-6-13(14(17)7-10)15(20)19-18-9-11-3-2-4-12(16)8-11/h2-9H,1H3,(H,19,20)
InChIKeyVSXXSCGKGIDZHD-UHFFFAOYSA-N
XLogP4.07
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.18
LogP ≤ 54.07
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-chloro-N-[(3-chlorophenyl)methylideneamino]benzamide
CID 689911
2-chloro-4-methyl-N-[(Z)-(3-nitrophenyl)methylideneamino]benzamide
CID 40963819
2-chloro-N-[(Z)-(3,5-dichloro-4-hydroxyphenyl)methylideneamino]-4-methylbenzamide
CID 137170826
2-chloro-4-methyl-N-(pyridin-4-ylmethylideneamino)benzamide
CID 71952051
N-[(3-chlorophenyl)methylideneamino]-2-methylfuran-3-carboxamide
CID 870863
N-[(E)-(3-chlorophenyl)methylideneamino]-2-methylfuran-3-carboxamide
CID 5340130
2-chloro-N-[(Z)-(4-methoxy-3-methylphenyl)methylideneamino]-4-methylbenzamide
CID 126060129
2-chloro-N-[(Z)-(3,4-diethoxyphenyl)methylideneamino]-4-methylbenzamide
CID 7369666
[4-[(Z)-[(2-chloro-4-methylbenzoyl)hydrazinylidene]methyl]-2-methoxyphenyl] 2,4-dichlorobenzoate
CID 41002107
[3-[(Z)-[(2-chloro-4-methylbenzoyl)hydrazinylidene]methyl]phenyl] thiophene-2-carboxylate
CID 7369655
2-bromo-N-[(E)-(3-chlorophenyl)methylideneamino]benzamide
CID 6899012
2-chloro-N-[(Z)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-4-methylbenzamide
CID 135905932

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(3-chlorophenyl)methylideneamino]-4-methylbenzamide?
The IUPAC name of 2-chloro-N-[(3-chlorophenyl)methylideneamino]-4-methylbenzamide (CID 71952071) is 2-chloro-N-[(3-chlorophenyl)methylideneamino]-4-methylbenzamide.
What is the SMILES notation for 2-chloro-N-[(3-chlorophenyl)methylideneamino]-4-methylbenzamide?
The canonical SMILES for 2-chloro-N-[(3-chlorophenyl)methylideneamino]-4-methylbenzamide is Cc1ccc(C(=O)NN=Cc2cccc(Cl)c2)c(Cl)c1.
What is the InChIKey of 2-chloro-N-[(3-chlorophenyl)methylideneamino]-4-methylbenzamide?
The InChIKey is VSXXSCGKGIDZHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N2O/c1-10-5-6-13(14(17)7-10)15(20)19-18-9-11-3-2-4-12(16)8-11/h2-9H,1H3,(H,19,20).
What are the key properties of 2-chloro-N-[(3-chlorophenyl)methylideneamino]-4-methylbenzamide?
2-chloro-N-[(3-chlorophenyl)methylideneamino]-4-methylbenzamide has a molecular weight of 307.18 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(3-chlorophenyl)methylideneamino]-4-methylbenzamide is sourced from PubChem (CID 71952071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).