2,4-dichloro-N-[(E)-1-(4-ethoxyphenyl)butylideneamino]benzamide

C19H20Cl2N2O2 — CID 7230039

IUPAC2,4-dichloro-N-[(E)-1-(4-ethoxyphenyl)butylideneamino]benzamide
SMILESCCC/C(=N\NC(=O)c1ccc(Cl)cc1Cl)c1ccc(OCC)cc1
InChIInChI=1S/C19H20Cl2N2O2/c1-3-5-18(13-6-9-15(10-7-13)25-4-2)22-23-19(24)16-11-8-14(20)12-17(16)21/h6-12H,3-5H2,1-2H3,(H,23,24)/b22-18+
InChIKeyIHACCXFKXAXHRS-RELWKKBWSA-N
MW379.29 g/mol
LogP5.33
Rot. Bonds7

About 2,4-dichloro-N-[(E)-1-(4-ethoxyphenyl)butylideneamino]benzamide

2,4-dichloro-N-[(E)-1-(4-ethoxyphenyl)butylideneamino]benzamide (PubChem CID 7230039) has the molecular formula C19H20Cl2N2O2 and a molecular weight of 379.29 g/mol. Its IUPAC name is 2,4-dichloro-N-[(E)-1-(4-ethoxyphenyl)butylideneamino]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[(E)-1-(4-ethoxyphenyl)butylideneamino]benzamide
PubChem CID7230039
Molecular FormulaC19H20Cl2N2O2
Molecular Weight379.29 g/mol
Exact Mass378.09
IUPAC Name2,4-dichloro-N-[(E)-1-(4-ethoxyphenyl)butylideneamino]benzamide
SMILESCCC/C(=N\NC(=O)c1ccc(Cl)cc1Cl)c1ccc(OCC)cc1
InChIInChI=1S/C19H20Cl2N2O2/c1-3-5-18(13-6-9-15(10-7-13)25-4-2)22-23-19(24)16-11-8-14(20)12-17(16)21/h6-12H,3-5H2,1-2H3,(H,23,24)/b22-18+
InChIKeyIHACCXFKXAXHRS-RELWKKBWSA-N
XLogP5.33
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.29
LogP ≤ 55.33
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-[1-(4-chlorophenyl)propylideneamino]benzamide
CID 4063120
4-bromo-N-[(Z)-1-(4-ethoxyphenyl)butylideneamino]benzamide
CID 6001763
N-[(Z)-1-(2,4-dichlorophenyl)ethylideneamino]-4-[(4-ethoxyphenoxy)methyl]benzamide
CID 6027125
5-chloro-N-[1-(4-ethoxyphenyl)ethylideneamino]-2-hydroxybenzamide
CID 5154909
2,4-dichloro-N-[(4-ethoxyphenyl)carbamothioyl]benzamide
CID 1340247
4-ethoxy-N-(1-phenylpentylideneamino)benzamide
CID 5197608
2,4-dichloro-N'-(3-ethoxybenzoyl)benzohydrazide
CID 4957514
[2-(4-ethoxyphenyl)-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate
CID 9270722
2,4-dichloro-N-[1-(4-chlorophenyl)ethylideneamino]benzamide
CID 904479
3-chloro-N-[1-(4-ethoxyphenyl)ethylideneamino]benzamide
CID 4065156
2-(4-ethoxyphenoxy)ethyl 2-[(2,4-dichlorobenzoyl)amino]acetate
CID 7843780
[3-[[(4-ethoxybenzoyl)hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
CID 3785640

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[(E)-1-(4-ethoxyphenyl)butylideneamino]benzamide?
The IUPAC name of 2,4-dichloro-N-[(E)-1-(4-ethoxyphenyl)butylideneamino]benzamide (CID 7230039) is 2,4-dichloro-N-[(E)-1-(4-ethoxyphenyl)butylideneamino]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[(E)-1-(4-ethoxyphenyl)butylideneamino]benzamide?
The canonical SMILES for 2,4-dichloro-N-[(E)-1-(4-ethoxyphenyl)butylideneamino]benzamide is CCC/C(=N\NC(=O)c1ccc(Cl)cc1Cl)c1ccc(OCC)cc1.
What is the InChIKey of 2,4-dichloro-N-[(E)-1-(4-ethoxyphenyl)butylideneamino]benzamide?
The InChIKey is IHACCXFKXAXHRS-RELWKKBWSA-N. The full InChI is InChI=1S/C19H20Cl2N2O2/c1-3-5-18(13-6-9-15(10-7-13)25-4-2)22-23-19(24)16-11-8-14(20)12-17(16)21/h6-12H,3-5H2,1-2H3,(H,23,24)/b22-18+.
What are the key properties of 2,4-dichloro-N-[(E)-1-(4-ethoxyphenyl)butylideneamino]benzamide?
2,4-dichloro-N-[(E)-1-(4-ethoxyphenyl)butylideneamino]benzamide has a molecular weight of 379.29 g/mol, XLogP of 5.33, 7 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)-1-(4-ethoxyphenyl)butylideneamino]benzamide is sourced from PubChem (CID 7230039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).