N-[(Z)-benzylideneamino]-3,5-dichloro-4-methoxybenzamide

C15H12Cl2N2O2 — CID 6445159

IUPACN-[(Z)-benzylideneamino]-3,5-dichloro-4-methoxybenzamide
SMILESCOc1c(Cl)cc(C(=O)N/N=C\c2ccccc2)cc1Cl
InChIInChI=1S/C15H12Cl2N2O2/c1-21-14-12(16)7-11(8-13(14)17)15(20)19-18-9-10-5-3-2-4-6-10/h2-9H,1H3,(H,19,20)/b18-9-
InChIKeyWEMIEQUOVOJOSO-NVMNQCDNSA-N
MW323.18 g/mol
LogP3.77
Rot. Bonds4

About N-[(Z)-benzylideneamino]-3,5-dichloro-4-methoxybenzamide

N-[(Z)-benzylideneamino]-3,5-dichloro-4-methoxybenzamide (PubChem CID 6445159) has the molecular formula C15H12Cl2N2O2 and a molecular weight of 323.18 g/mol. Its IUPAC name is N-[(Z)-benzylideneamino]-3,5-dichloro-4-methoxybenzamide.

Molecular Properties

Compound NameN-[(Z)-benzylideneamino]-3,5-dichloro-4-methoxybenzamide
PubChem CID6445159
Molecular FormulaC15H12Cl2N2O2
Molecular Weight323.18 g/mol
Exact Mass322.03
IUPAC NameN-[(Z)-benzylideneamino]-3,5-dichloro-4-methoxybenzamide
SMILESCOc1c(Cl)cc(C(=O)N/N=C\c2ccccc2)cc1Cl
InChIInChI=1S/C15H12Cl2N2O2/c1-21-14-12(16)7-11(8-13(14)17)15(20)19-18-9-10-5-3-2-4-6-10/h2-9H,1H3,(H,19,20)/b18-9-
InChIKeyWEMIEQUOVOJOSO-NVMNQCDNSA-N
XLogP3.77
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.18
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[(3-chloro-4,5-dimethoxyphenyl)methylideneamino]benzamide
CID 900213
2-chloro-N-[(Z)-(3,5-dichloro-4-methoxyphenyl)methylideneamino]benzamide
CID 110509279
4-chloro-N-[(3,5-dichloro-4-methoxyphenyl)methylideneamino]benzamide
CID 4512927
N-[(E)-(3,5-dichloro-4-methoxyphenyl)methylideneamino]-4-methoxybenzamide
CID 6133035
N-(benzylideneamino)-3-methoxybenzamide
CID 3517169
N-[(Z)-(3,5-dichloro-4-methoxyphenyl)methylideneamino]-2-phenylacetamide
CID 110515329
N-[(3-chloro-4-methoxyphenyl)methylideneamino]benzamide
CID 3850577
N-[(E)-(3,5-dichloro-4-propan-2-yloxyphenyl)methylideneamino]benzamide
CID 110507236
2-chloro-N-[(Z)-(3-chloro-4,5-dimethoxyphenyl)methylideneamino]benzamide
CID 9016258
N-[(Z)-benzylideneamino]-3,5-dihydroxybenzamide
CID 170181665
N'-benzoyl-3,5-dichloro-4-methoxybenzohydrazide
CID 51218002
N-[(Z)-benzylideneamino]-3-chlorobenzamide
CID 5409510

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-benzylideneamino]-3,5-dichloro-4-methoxybenzamide?
The IUPAC name of N-[(Z)-benzylideneamino]-3,5-dichloro-4-methoxybenzamide (CID 6445159) is N-[(Z)-benzylideneamino]-3,5-dichloro-4-methoxybenzamide.
What is the SMILES notation for N-[(Z)-benzylideneamino]-3,5-dichloro-4-methoxybenzamide?
The canonical SMILES for N-[(Z)-benzylideneamino]-3,5-dichloro-4-methoxybenzamide is COc1c(Cl)cc(C(=O)N/N=C\c2ccccc2)cc1Cl.
What is the InChIKey of N-[(Z)-benzylideneamino]-3,5-dichloro-4-methoxybenzamide?
The InChIKey is WEMIEQUOVOJOSO-NVMNQCDNSA-N. The full InChI is InChI=1S/C15H12Cl2N2O2/c1-21-14-12(16)7-11(8-13(14)17)15(20)19-18-9-10-5-3-2-4-6-10/h2-9H,1H3,(H,19,20)/b18-9-.
What are the key properties of N-[(Z)-benzylideneamino]-3,5-dichloro-4-methoxybenzamide?
N-[(Z)-benzylideneamino]-3,5-dichloro-4-methoxybenzamide has a molecular weight of 323.18 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-benzylideneamino]-3,5-dichloro-4-methoxybenzamide is sourced from PubChem (CID 6445159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).