N-[(E)-1-(3,4-dichlorophenyl)ethylideneamino]-4-propoxybenzamide

C18H18Cl2N2O2 — CID 133169925

IUPACN-[(E)-1-(3,4-dichlorophenyl)ethylideneamino]-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)N/N=C(\C)c2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C18H18Cl2N2O2/c1-3-10-24-15-7-4-13(5-8-15)18(23)22-21-12(2)14-6-9-16(19)17(20)11-14/h4-9,11H,3,10H2,1-2H3,(H,22,23)/b21-12+
InChIKeyQUMLMSKWADPDMH-CIAFOILYSA-N
MW365.26 g/mol
LogP4.94
Rot. Bonds6

About N-[(E)-1-(3,4-dichlorophenyl)ethylideneamino]-4-propoxybenzamide

N-[(E)-1-(3,4-dichlorophenyl)ethylideneamino]-4-propoxybenzamide (PubChem CID 133169925) has the molecular formula C18H18Cl2N2O2 and a molecular weight of 365.26 g/mol. Its IUPAC name is N-[(E)-1-(3,4-dichlorophenyl)ethylideneamino]-4-propoxybenzamide.

Molecular Properties

Compound NameN-[(E)-1-(3,4-dichlorophenyl)ethylideneamino]-4-propoxybenzamide
PubChem CID133169925
Molecular FormulaC18H18Cl2N2O2
Molecular Weight365.26 g/mol
Exact Mass364.07
IUPAC NameN-[(E)-1-(3,4-dichlorophenyl)ethylideneamino]-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)N/N=C(\C)c2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C18H18Cl2N2O2/c1-3-10-24-15-7-4-13(5-8-15)18(23)22-21-12(2)14-6-9-16(19)17(20)11-14/h4-9,11H,3,10H2,1-2H3,(H,22,23)/b21-12+
InChIKeyQUMLMSKWADPDMH-CIAFOILYSA-N
XLogP4.94
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.26
LogP ≤ 54.94
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-[(E)-1-(4-chlorophenyl)ethylideneamino]-4-propoxybenzamide
CID 133169613
N-[(Z)-1-(4-bromophenyl)ethylideneamino]-4-propoxybenzamide
CID 99945469
4-propoxy-N-[(E)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylideneamino]benzamide
CID 133169944
N-[(E)-1-(4-cyanophenyl)ethylideneamino]-4-propoxybenzamide
CID 133169937
N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-3-(4-propoxyphenyl)-1H-pyrazole-5-carboxamide
CID 6379565
N-(3,4-dichlorophenyl)-4-propoxybenzamide
CID 4938387
N-[(E)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]-4-propoxybenzamide
CID 137268526
3,4-dichloro-N-[1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]benzamide
CID 4131490
N-[(Z)-1-(3,4-dichlorophenyl)ethylideneamino]-4-nitrobenzamide
CID 5438350
N,N'-bis[1-(3,4-dichlorophenyl)ethylideneamino]butanediamide
CID 3636545
N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]-4-ethoxybenzamide
CID 6180657
[(E)-1-(3,4-dichlorophenyl)ethylideneamino]urea
CID 5495611

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(3,4-dichlorophenyl)ethylideneamino]-4-propoxybenzamide?
The IUPAC name of N-[(E)-1-(3,4-dichlorophenyl)ethylideneamino]-4-propoxybenzamide (CID 133169925) is N-[(E)-1-(3,4-dichlorophenyl)ethylideneamino]-4-propoxybenzamide.
What is the SMILES notation for N-[(E)-1-(3,4-dichlorophenyl)ethylideneamino]-4-propoxybenzamide?
The canonical SMILES for N-[(E)-1-(3,4-dichlorophenyl)ethylideneamino]-4-propoxybenzamide is CCCOc1ccc(C(=O)N/N=C(\C)c2ccc(Cl)c(Cl)c2)cc1.
What is the InChIKey of N-[(E)-1-(3,4-dichlorophenyl)ethylideneamino]-4-propoxybenzamide?
The InChIKey is QUMLMSKWADPDMH-CIAFOILYSA-N. The full InChI is InChI=1S/C18H18Cl2N2O2/c1-3-10-24-15-7-4-13(5-8-15)18(23)22-21-12(2)14-6-9-16(19)17(20)11-14/h4-9,11H,3,10H2,1-2H3,(H,22,23)/b21-12+.
What are the key properties of N-[(E)-1-(3,4-dichlorophenyl)ethylideneamino]-4-propoxybenzamide?
N-[(E)-1-(3,4-dichlorophenyl)ethylideneamino]-4-propoxybenzamide has a molecular weight of 365.26 g/mol, XLogP of 4.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(3,4-dichlorophenyl)ethylideneamino]-4-propoxybenzamide is sourced from PubChem (CID 133169925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).