N-[(E)-(2,3-dichlorophenyl)methylideneamino]-4-methylbenzamide

C15H12Cl2N2O — CID 5333191

IUPACN-[(E)-(2,3-dichlorophenyl)methylideneamino]-4-methylbenzamide
SMILESCc1ccc(C(=O)N/N=C/c2cccc(Cl)c2Cl)cc1
InChIInChI=1S/C15H12Cl2N2O/c1-10-5-7-11(8-6-10)15(20)19-18-9-12-3-2-4-13(16)14(12)17/h2-9H,1H3,(H,19,20)/b18-9+
InChIKeyIODFEMCCAVKBOI-GIJQJNRQSA-N
MW307.18 g/mol
LogP4.07
Rot. Bonds3

About N-[(E)-(2,3-dichlorophenyl)methylideneamino]-4-methylbenzamide

N-[(E)-(2,3-dichlorophenyl)methylideneamino]-4-methylbenzamide (PubChem CID 5333191) has the molecular formula C15H12Cl2N2O and a molecular weight of 307.18 g/mol. Its IUPAC name is N-[(E)-(2,3-dichlorophenyl)methylideneamino]-4-methylbenzamide.

Molecular Properties

Compound NameN-[(E)-(2,3-dichlorophenyl)methylideneamino]-4-methylbenzamide
PubChem CID5333191
Molecular FormulaC15H12Cl2N2O
Molecular Weight307.18 g/mol
Exact Mass306.03
IUPAC NameN-[(E)-(2,3-dichlorophenyl)methylideneamino]-4-methylbenzamide
SMILESCc1ccc(C(=O)N/N=C/c2cccc(Cl)c2Cl)cc1
InChIInChI=1S/C15H12Cl2N2O/c1-10-5-7-11(8-6-10)15(20)19-18-9-12-3-2-4-13(16)14(12)17/h2-9H,1H3,(H,19,20)/b18-9+
InChIKeyIODFEMCCAVKBOI-GIJQJNRQSA-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

N-[(E)-(2,3-dichlorophenyl)methylideneamino]-4-propan-2-ylbenzamide
CID 6874265
N-[2-[2-[(2,3-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-4-methylbenzamide
CID 3322894
3-chloro-N-[(Z)-(2,3-dichlorophenyl)methylideneamino]benzamide
CID 5407459
N-[(2,3-dichlorophenyl)methylideneamino]-3,4-dihydroxybenzamide
CID 764265
N-[(Z)-(2,3-dichlorophenyl)methylideneamino]acetamide
CID 6294643
N-[(Z)-(2,3-dichlorophenyl)methylideneamino]-3,4-dimethoxybenzamide
CID 6018421
N-[(Z)-(2,3-dichlorophenyl)methylideneamino]-2-methylbenzamide
CID 5404066
N-[(2,3-dichlorophenyl)methylideneamino]-2-(4-methylanilino)acetamide
CID 872216
4-(benzenesulfonamido)-N-[(2,3-dichlorophenyl)methylideneamino]benzamide
CID 4119667
N-[(2,3-dichlorophenyl)methylideneamino]-4-(3-methylbutoxy)benzamide
CID 4927417
N-[(Z)-(2,3-dichlorophenyl)methylideneamino]-3-iodo-4-methoxybenzamide
CID 6117439
N-[(Z)-(2,3-dichlorophenyl)methylideneamino]-4-methylaniline
CID 9059450

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2,3-dichlorophenyl)methylideneamino]-4-methylbenzamide?
The IUPAC name of N-[(E)-(2,3-dichlorophenyl)methylideneamino]-4-methylbenzamide (CID 5333191) is N-[(E)-(2,3-dichlorophenyl)methylideneamino]-4-methylbenzamide.
What is the SMILES notation for N-[(E)-(2,3-dichlorophenyl)methylideneamino]-4-methylbenzamide?
The canonical SMILES for N-[(E)-(2,3-dichlorophenyl)methylideneamino]-4-methylbenzamide is Cc1ccc(C(=O)N/N=C/c2cccc(Cl)c2Cl)cc1.
What is the InChIKey of N-[(E)-(2,3-dichlorophenyl)methylideneamino]-4-methylbenzamide?
The InChIKey is IODFEMCCAVKBOI-GIJQJNRQSA-N. The full InChI is InChI=1S/C15H12Cl2N2O/c1-10-5-7-11(8-6-10)15(20)19-18-9-12-3-2-4-13(16)14(12)17/h2-9H,1H3,(H,19,20)/b18-9+.
What are the key properties of N-[(E)-(2,3-dichlorophenyl)methylideneamino]-4-methylbenzamide?
N-[(E)-(2,3-dichlorophenyl)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 N-[(E)-(2,3-dichlorophenyl)methylideneamino]-4-methylbenzamide is sourced from PubChem (CID 5333191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).