N-[(E)-(3,4-dichlorophenyl)methylideneamino]-2-(4-propylphenoxy)acetamide

C18H18Cl2N2O2 — CID 19182388

IUPACN-[(E)-(3,4-dichlorophenyl)methylideneamino]-2-(4-propylphenoxy)acetamide
SMILESCCCc1ccc(OCC(=O)N/N=C/c2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C18H18Cl2N2O2/c1-2-3-13-4-7-15(8-5-13)24-12-18(23)22-21-11-14-6-9-16(19)17(20)10-14/h4-11H,2-3,12H2,1H3,(H,22,23)/b21-11+
InChIKeyRYKXFCZSKIKPCJ-SRZZPIQSSA-N
MW365.26 g/mol
LogP4.47
Rot. Bonds7

About N-[(E)-(3,4-dichlorophenyl)methylideneamino]-2-(4-propylphenoxy)acetamide

N-[(E)-(3,4-dichlorophenyl)methylideneamino]-2-(4-propylphenoxy)acetamide (PubChem CID 19182388) has the molecular formula C18H18Cl2N2O2 and a molecular weight of 365.26 g/mol. Its IUPAC name is N-[(E)-(3,4-dichlorophenyl)methylideneamino]-2-(4-propylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(E)-(3,4-dichlorophenyl)methylideneamino]-2-(4-propylphenoxy)acetamide
PubChem CID19182388
Molecular FormulaC18H18Cl2N2O2
Molecular Weight365.26 g/mol
Exact Mass364.07
IUPAC NameN-[(E)-(3,4-dichlorophenyl)methylideneamino]-2-(4-propylphenoxy)acetamide
SMILESCCCc1ccc(OCC(=O)N/N=C/c2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C18H18Cl2N2O2/c1-2-3-13-4-7-15(8-5-13)24-12-18(23)22-21-11-14-6-9-16(19)17(20)10-14/h4-11H,2-3,12H2,1H3,(H,22,23)/b21-11+
InChIKeyRYKXFCZSKIKPCJ-SRZZPIQSSA-N
XLogP4.47
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.26
LogP ≤ 54.47
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-[(Z)-(4-methoxyphenyl)methylideneamino]-2-(4-propylphenoxy)acetamide
CID 6386184
2-(4-chloro-3-methylphenoxy)-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]acetamide
CID 39819572
2-(4-chloro-3,5-dimethylphenoxy)-N-[(E)-(3,4-dichlorophenyl)methylideneamino]acetamide
CID 19189648
[4-[[[2-(4-propylphenoxy)acetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
CID 3412337
4-butyl-N-[[4-[2-(3,4-dichloroanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide
CID 5171359
N-[(Z)-(2-chloroquinolin-3-yl)methylideneamino]-2-(4-propylphenoxy)acetamide
CID 6028352
N-[(Z)-(3-chlorophenyl)methylideneamino]-2-(4-ethylphenoxy)acetamide
CID 5416702
N-[(E)-benzylideneamino]-2-(4-butylphenoxy)acetamide
CID 6876624
N-[(2-hydroxyphenyl)methylideneamino]-2-(4-propylphenoxy)acetamide
CID 3684670
2-(4-butylphenoxy)-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 135606578
N-[(E)-(3-bromo-4,5-dimethoxyphenyl)methylideneamino]-2-(4-propylphenoxy)acetamide
CID 19183176
N-[(4-ethoxyphenyl)methylideneamino]-2-(2,4,5-trichlorophenoxy)acetamide
CID 4164318

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3,4-dichlorophenyl)methylideneamino]-2-(4-propylphenoxy)acetamide?
The IUPAC name of N-[(E)-(3,4-dichlorophenyl)methylideneamino]-2-(4-propylphenoxy)acetamide (CID 19182388) is N-[(E)-(3,4-dichlorophenyl)methylideneamino]-2-(4-propylphenoxy)acetamide.
What is the SMILES notation for N-[(E)-(3,4-dichlorophenyl)methylideneamino]-2-(4-propylphenoxy)acetamide?
The canonical SMILES for N-[(E)-(3,4-dichlorophenyl)methylideneamino]-2-(4-propylphenoxy)acetamide is CCCc1ccc(OCC(=O)N/N=C/c2ccc(Cl)c(Cl)c2)cc1.
What is the InChIKey of N-[(E)-(3,4-dichlorophenyl)methylideneamino]-2-(4-propylphenoxy)acetamide?
The InChIKey is RYKXFCZSKIKPCJ-SRZZPIQSSA-N. The full InChI is InChI=1S/C18H18Cl2N2O2/c1-2-3-13-4-7-15(8-5-13)24-12-18(23)22-21-11-14-6-9-16(19)17(20)10-14/h4-11H,2-3,12H2,1H3,(H,22,23)/b21-11+.
What are the key properties of N-[(E)-(3,4-dichlorophenyl)methylideneamino]-2-(4-propylphenoxy)acetamide?
N-[(E)-(3,4-dichlorophenyl)methylideneamino]-2-(4-propylphenoxy)acetamide has a molecular weight of 365.26 g/mol, XLogP of 4.47, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3,4-dichlorophenyl)methylideneamino]-2-(4-propylphenoxy)acetamide is sourced from PubChem (CID 19182388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).