2,4-dichloro-N-[(E)-(3-propoxyphenyl)methylideneamino]benzamide

C17H16Cl2N2O2 — CID 110340424

IUPAC2,4-dichloro-N-[(E)-(3-propoxyphenyl)methylideneamino]benzamide
SMILESCCCOc1cccc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C17H16Cl2N2O2/c1-2-8-23-14-5-3-4-12(9-14)11-20-21-17(22)15-7-6-13(18)10-16(15)19/h3-7,9-11H,2,8H2,1H3,(H,21,22)/b20-11+
InChIKeyHUGJGLLPFLXERM-RGVLZGJSSA-N
MW351.23 g/mol
LogP4.55
Rot. Bonds6

About 2,4-dichloro-N-[(E)-(3-propoxyphenyl)methylideneamino]benzamide

2,4-dichloro-N-[(E)-(3-propoxyphenyl)methylideneamino]benzamide (PubChem CID 110340424) has the molecular formula C17H16Cl2N2O2 and a molecular weight of 351.23 g/mol. Its IUPAC name is 2,4-dichloro-N-[(E)-(3-propoxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[(E)-(3-propoxyphenyl)methylideneamino]benzamide
PubChem CID110340424
Molecular FormulaC17H16Cl2N2O2
Molecular Weight351.23 g/mol
Exact Mass350.06
IUPAC Name2,4-dichloro-N-[(E)-(3-propoxyphenyl)methylideneamino]benzamide
SMILESCCCOc1cccc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C17H16Cl2N2O2/c1-2-8-23-14-5-3-4-12(9-14)11-20-21-17(22)15-7-6-13(18)10-16(15)19/h3-7,9-11H,2,8H2,1H3,(H,21,22)/b20-11+
InChIKeyHUGJGLLPFLXERM-RGVLZGJSSA-N
XLogP4.55
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.23
LogP ≤ 54.55
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

2,4-dichloro-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]benzamide
CID 6107942
2-methyl-N-[(E)-(3-propoxyphenyl)methylideneamino]benzamide
CID 19061075
2-amino-N-[(E)-(3-propoxyphenyl)methylideneamino]benzamide
CID 110340423
N-[(E)-(3-butoxyphenyl)methylideneamino]-4-chlorobenzamide
CID 110340461
2,4-dichloro-N-[(Z)-[3-[2-(3,4-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide
CID 126026470
1-(3-chlorophenyl)-3-[(Z)-(3-propoxyphenyl)methylideneamino]urea
CID 110536997
N-methyl-N'-[(Z)-(3-propoxyphenyl)methylideneamino]oxamide
CID 8989199
[3-[[(4-ethoxybenzoyl)hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
CID 3785640
4-ethoxy-N-[(E)-(3-propoxyphenyl)methylideneamino]benzamide
CID 17246375
2-chloro-N-[(3-chlorophenyl)methylideneamino]-4-methylbenzamide
CID 71952071
[3-[[(3-chlorobenzoyl)hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
CID 4101805
2,4-dichloro-N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]benzamide
CID 6036717

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[(E)-(3-propoxyphenyl)methylideneamino]benzamide?
The IUPAC name of 2,4-dichloro-N-[(E)-(3-propoxyphenyl)methylideneamino]benzamide (CID 110340424) is 2,4-dichloro-N-[(E)-(3-propoxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[(E)-(3-propoxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 2,4-dichloro-N-[(E)-(3-propoxyphenyl)methylideneamino]benzamide is CCCOc1cccc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)c1.
What is the InChIKey of 2,4-dichloro-N-[(E)-(3-propoxyphenyl)methylideneamino]benzamide?
The InChIKey is HUGJGLLPFLXERM-RGVLZGJSSA-N. The full InChI is InChI=1S/C17H16Cl2N2O2/c1-2-8-23-14-5-3-4-12(9-14)11-20-21-17(22)15-7-6-13(18)10-16(15)19/h3-7,9-11H,2,8H2,1H3,(H,21,22)/b20-11+.
What are the key properties of 2,4-dichloro-N-[(E)-(3-propoxyphenyl)methylideneamino]benzamide?
2,4-dichloro-N-[(E)-(3-propoxyphenyl)methylideneamino]benzamide has a molecular weight of 351.23 g/mol, XLogP of 4.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[(E)-(3-propoxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 110340424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).