N-[(Z)-(2,3-dichlorophenyl)methylideneamino]-3,4-dimethoxybenzamide

C16H14Cl2N2O3 — CID 6018421

IUPACN-[(Z)-(2,3-dichlorophenyl)methylideneamino]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)N/N=C\c2cccc(Cl)c2Cl)cc1OC
InChIInChI=1S/C16H14Cl2N2O3/c1-22-13-7-6-10(8-14(13)23-2)16(21)20-19-9-11-4-3-5-12(17)15(11)18/h3-9H,1-2H3,(H,20,21)/b19-9-
InChIKeyNQSRKBIXLHWKJX-OCKHKDLRSA-N
MW353.21 g/mol
LogP3.77
Rot. Bonds5

About N-[(Z)-(2,3-dichlorophenyl)methylideneamino]-3,4-dimethoxybenzamide

N-[(Z)-(2,3-dichlorophenyl)methylideneamino]-3,4-dimethoxybenzamide (PubChem CID 6018421) has the molecular formula C16H14Cl2N2O3 and a molecular weight of 353.21 g/mol. Its IUPAC name is N-[(Z)-(2,3-dichlorophenyl)methylideneamino]-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[(Z)-(2,3-dichlorophenyl)methylideneamino]-3,4-dimethoxybenzamide
PubChem CID6018421
Molecular FormulaC16H14Cl2N2O3
Molecular Weight353.21 g/mol
Exact Mass352.04
IUPAC NameN-[(Z)-(2,3-dichlorophenyl)methylideneamino]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)N/N=C\c2cccc(Cl)c2Cl)cc1OC
InChIInChI=1S/C16H14Cl2N2O3/c1-22-13-7-6-10(8-14(13)23-2)16(21)20-19-9-11-4-3-5-12(17)15(11)18/h3-9H,1-2H3,(H,20,21)/b19-9-
InChIKeyNQSRKBIXLHWKJX-OCKHKDLRSA-N
XLogP3.77
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.21
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[(Z)-(2,3-dichlorophenyl)methylideneamino]-3-iodo-4-methoxybenzamide
CID 6117439
N-[(E)-(2,4-dichlorophenyl)methylideneamino]-3,4-dimethoxybenzamide
CID 6910490
3-chloro-N-[(Z)-(2,3-dichlorophenyl)methylideneamino]benzamide
CID 5407459
N-[(2,3-dichlorophenyl)methylideneamino]-3,4-dihydroxybenzamide
CID 764265
N-[(Z)-(2-chlorophenyl)methylideneamino]-3-iodo-4-methoxybenzamide
CID 6117681
N-[(E)-(2,3-dichlorophenyl)methylideneamino]-4-methylbenzamide
CID 5333191
N-[(E)-[3-[(E)-[(3,4-dimethoxybenzoyl)hydrazinylidene]methyl]phenyl]methylideneamino]-3,4-dimethoxybenzamide
CID 46804116
N-[(3-chlorophenyl)methylideneamino]-3,4-dimethoxybenzamide
CID 2693736
3,4-dimethoxy-N-[(Z)-(2,4,5-trimethylphenyl)methylideneamino]benzamide
CID 9232674
N-[(E)-(2,6-dichlorophenyl)methylideneamino]-3-methoxy-4-propan-2-yloxybenzamide
CID 46804715
3-chloro-N-[(2-methoxyphenyl)methylideneamino]benzamide
CID 913510
N-[(E)-(2,3-dichlorophenyl)methylideneamino]-4-propan-2-ylbenzamide
CID 6874265

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2,3-dichlorophenyl)methylideneamino]-3,4-dimethoxybenzamide?
The IUPAC name of N-[(Z)-(2,3-dichlorophenyl)methylideneamino]-3,4-dimethoxybenzamide (CID 6018421) is N-[(Z)-(2,3-dichlorophenyl)methylideneamino]-3,4-dimethoxybenzamide.
What is the SMILES notation for N-[(Z)-(2,3-dichlorophenyl)methylideneamino]-3,4-dimethoxybenzamide?
The canonical SMILES for N-[(Z)-(2,3-dichlorophenyl)methylideneamino]-3,4-dimethoxybenzamide is COc1ccc(C(=O)N/N=C\c2cccc(Cl)c2Cl)cc1OC.
What is the InChIKey of N-[(Z)-(2,3-dichlorophenyl)methylideneamino]-3,4-dimethoxybenzamide?
The InChIKey is NQSRKBIXLHWKJX-OCKHKDLRSA-N. The full InChI is InChI=1S/C16H14Cl2N2O3/c1-22-13-7-6-10(8-14(13)23-2)16(21)20-19-9-11-4-3-5-12(17)15(11)18/h3-9H,1-2H3,(H,20,21)/b19-9-.
What are the key properties of N-[(Z)-(2,3-dichlorophenyl)methylideneamino]-3,4-dimethoxybenzamide?
N-[(Z)-(2,3-dichlorophenyl)methylideneamino]-3,4-dimethoxybenzamide has a molecular weight of 353.21 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2,3-dichlorophenyl)methylideneamino]-3,4-dimethoxybenzamide is sourced from PubChem (CID 6018421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).