N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-3-methylbenzamide

C15H12Cl2N2O — CID 5418894

IUPACN-[(Z)-(2,6-dichlorophenyl)methylideneamino]-3-methylbenzamide
SMILESCc1cccc(C(=O)N/N=C\c2c(Cl)cccc2Cl)c1
InChIInChI=1S/C15H12Cl2N2O/c1-10-4-2-5-11(8-10)15(20)19-18-9-12-13(16)6-3-7-14(12)17/h2-9H,1H3,(H,19,20)/b18-9-
InChIKeyMKOAXLMQPCQLEQ-NVMNQCDNSA-N
MW307.18 g/mol
LogP4.07
Rot. Bonds3

About N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-3-methylbenzamide

N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-3-methylbenzamide (PubChem CID 5418894) has the molecular formula C15H12Cl2N2O and a molecular weight of 307.18 g/mol. Its IUPAC name is N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-3-methylbenzamide.

Molecular Properties

Compound NameN-[(Z)-(2,6-dichlorophenyl)methylideneamino]-3-methylbenzamide
PubChem CID5418894
Molecular FormulaC15H12Cl2N2O
Molecular Weight307.18 g/mol
Exact Mass306.03
IUPAC NameN-[(Z)-(2,6-dichlorophenyl)methylideneamino]-3-methylbenzamide
SMILESCc1cccc(C(=O)N/N=C\c2c(Cl)cccc2Cl)c1
InChIInChI=1S/C15H12Cl2N2O/c1-10-4-2-5-11(8-10)15(20)19-18-9-12-13(16)6-3-7-14(12)17/h2-9H,1H3,(H,19,20)/b18-9-
InChIKeyMKOAXLMQPCQLEQ-NVMNQCDNSA-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'}

Analyze N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-3-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-bromo-N-[(2,6-dichlorophenyl)methylideneamino]benzamide
CID 1103001
N-[(2,6-dichlorophenyl)methylideneamino]-3-methoxybenzamide
CID 4148096
3-methyl-N-[(Z)-(3-methylphenyl)methylideneamino]benzamide
CID 5394581
N-[(5-chloro-2-hydroxyphenyl)methylideneamino]-3-methylbenzamide
CID 136628097
4-amino-N-[(E)-(2,6-dichlorophenyl)methylideneamino]benzamide
CID 6898711
N-[(2,6-dichlorophenyl)methylideneamino]-4-hydroxybenzamide
CID 773943
N-[(E)-(4-hydroxyphenyl)methylideneamino]-3-methylbenzamide
CID 135400409
N-[(Z)-(4-hydroxyphenyl)methylideneamino]-3-methylbenzamide
CID 136852017
3-methyl-N-[(4-propan-2-ylphenyl)methylideneamino]benzamide
CID 916412
N-[(Z)-(2-chloro-6-hydroxyphenyl)methylideneamino]-3-nitrobenzamide
CID 137058209
4-chloro-N-[(Z)-(2-chloro-6-hydroxyphenyl)methylideneamino]benzamide
CID 137058198
N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-2-methylbenzamide
CID 5418287

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-3-methylbenzamide?
The IUPAC name of N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-3-methylbenzamide (CID 5418894) is N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-3-methylbenzamide.
What is the SMILES notation for N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-3-methylbenzamide?
The canonical SMILES for N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-3-methylbenzamide is Cc1cccc(C(=O)N/N=C\c2c(Cl)cccc2Cl)c1.
What is the InChIKey of N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-3-methylbenzamide?
The InChIKey is MKOAXLMQPCQLEQ-NVMNQCDNSA-N. The full InChI is InChI=1S/C15H12Cl2N2O/c1-10-4-2-5-11(8-10)15(20)19-18-9-12-13(16)6-3-7-14(12)17/h2-9H,1H3,(H,19,20)/b18-9-.
What are the key properties of N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-3-methylbenzamide?
N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-3-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 N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-3-methylbenzamide is sourced from PubChem (CID 5418894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).