2,4-dichloro-N-[1-(2,4-dimethoxyphenyl)ethylideneamino]benzamide

C17H16Cl2N2O3 — CID 4507808

IUPAC2,4-dichloro-N-[1-(2,4-dimethoxyphenyl)ethylideneamino]benzamide
SMILESCOc1ccc(C(C)=NNC(=O)c2ccc(Cl)cc2Cl)c(OC)c1
InChIInChI=1S/C17H16Cl2N2O3/c1-10(13-7-5-12(23-2)9-16(13)24-3)20-21-17(22)14-6-4-11(18)8-15(14)19/h4-9H,1-3H3,(H,21,22)
InChIKeyQLJVUDNHZNIPSC-UHFFFAOYSA-N
MW367.23 g/mol
LogP4.16
Rot. Bonds5

About 2,4-dichloro-N-[1-(2,4-dimethoxyphenyl)ethylideneamino]benzamide

2,4-dichloro-N-[1-(2,4-dimethoxyphenyl)ethylideneamino]benzamide (PubChem CID 4507808) has the molecular formula C17H16Cl2N2O3 and a molecular weight of 367.23 g/mol. Its IUPAC name is 2,4-dichloro-N-[1-(2,4-dimethoxyphenyl)ethylideneamino]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[1-(2,4-dimethoxyphenyl)ethylideneamino]benzamide
PubChem CID4507808
Molecular FormulaC17H16Cl2N2O3
Molecular Weight367.23 g/mol
Exact Mass366.05
IUPAC Name2,4-dichloro-N-[1-(2,4-dimethoxyphenyl)ethylideneamino]benzamide
SMILESCOc1ccc(C(C)=NNC(=O)c2ccc(Cl)cc2Cl)c(OC)c1
InChIInChI=1S/C17H16Cl2N2O3/c1-10(13-7-5-12(23-2)9-16(13)24-3)20-21-17(22)14-6-4-11(18)8-15(14)19/h4-9H,1-3H3,(H,21,22)
InChIKeyQLJVUDNHZNIPSC-UHFFFAOYSA-N
XLogP4.16
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.23
LogP ≤ 54.16
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

2-(2,4-dichlorophenoxy)-N-[1-(2,4-dimethoxyphenyl)ethylideneamino]acetamide
CID 4509528
2,4-dimethoxy-N-[1-(4-methoxyphenyl)ethylideneamino]benzamide
CID 873053
N-[1-(2,4-dimethoxyphenyl)ethylideneamino]-4-fluorobenzamide
CID 78596498
2,4-dichloro-N-[(2,5-dimethoxyphenyl)methylideneamino]benzamide
CID 3623191
2,4-dichloro-N-[1-(4-chlorophenyl)ethylideneamino]benzamide
CID 904479
2,4-dichloro-N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]benzamide
CID 135688205
2-chloro-N-[(E)-1-(2-hydroxy-5-methoxyphenyl)ethylideneamino]benzamide
CID 135824437
4-amino-N-[(Z)-1-(2,4-dimethoxyphenyl)ethylideneamino]benzamide;oxalic acid
CID 163326318
2,4-dichloro-N-[4-[N-[(2-methoxybenzoyl)amino]-C-methylcarbonimidoyl]phenyl]benzamide
CID 4288814
N-[(E)-1-(2,4-dimethoxyphenyl)ethylideneamino]-3,4,5-triethoxybenzamide
CID 22830699
N-[1-(2,4-dimethoxyphenyl)ethylideneamino]-2-prop-2-enoxybenzamide
CID 4928995
N-[(Z)-1-(2,4-dimethoxyphenyl)ethylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 6259144

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[1-(2,4-dimethoxyphenyl)ethylideneamino]benzamide?
The IUPAC name of 2,4-dichloro-N-[1-(2,4-dimethoxyphenyl)ethylideneamino]benzamide (CID 4507808) is 2,4-dichloro-N-[1-(2,4-dimethoxyphenyl)ethylideneamino]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[1-(2,4-dimethoxyphenyl)ethylideneamino]benzamide?
The canonical SMILES for 2,4-dichloro-N-[1-(2,4-dimethoxyphenyl)ethylideneamino]benzamide is COc1ccc(C(C)=NNC(=O)c2ccc(Cl)cc2Cl)c(OC)c1.
What is the InChIKey of 2,4-dichloro-N-[1-(2,4-dimethoxyphenyl)ethylideneamino]benzamide?
The InChIKey is QLJVUDNHZNIPSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N2O3/c1-10(13-7-5-12(23-2)9-16(13)24-3)20-21-17(22)14-6-4-11(18)8-15(14)19/h4-9H,1-3H3,(H,21,22).
What are the key properties of 2,4-dichloro-N-[1-(2,4-dimethoxyphenyl)ethylideneamino]benzamide?
2,4-dichloro-N-[1-(2,4-dimethoxyphenyl)ethylideneamino]benzamide has a molecular weight of 367.23 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[1-(2,4-dimethoxyphenyl)ethylideneamino]benzamide is sourced from PubChem (CID 4507808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).