N-[(Z)-1-(3,4-dichlorophenyl)ethylideneamino]dodecanamide

C20H30Cl2N2O — CID 6059481

IUPACN-[(Z)-1-(3,4-dichlorophenyl)ethylideneamino]dodecanamide
SMILESCCCCCCCCCCCC(=O)N/N=C(/C)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C20H30Cl2N2O/c1-3-4-5-6-7-8-9-10-11-12-20(25)24-23-16(2)17-13-14-18(21)19(22)15-17/h13-15H,3-12H2,1-2H3,(H,24,25)/b23-16-
InChIKeyOYXWKRAICMFUGP-KQWNVCNZSA-N
MW385.38 g/mol
LogP6.75
Rot. Bonds12

About N-[(Z)-1-(3,4-dichlorophenyl)ethylideneamino]dodecanamide

N-[(Z)-1-(3,4-dichlorophenyl)ethylideneamino]dodecanamide (PubChem CID 6059481) has the molecular formula C20H30Cl2N2O and a molecular weight of 385.38 g/mol. Its IUPAC name is N-[(Z)-1-(3,4-dichlorophenyl)ethylideneamino]dodecanamide.

Molecular Properties

Compound NameN-[(Z)-1-(3,4-dichlorophenyl)ethylideneamino]dodecanamide
PubChem CID6059481
Molecular FormulaC20H30Cl2N2O
Molecular Weight385.38 g/mol
Exact Mass384.17
IUPAC NameN-[(Z)-1-(3,4-dichlorophenyl)ethylideneamino]dodecanamide
SMILESCCCCCCCCCCCC(=O)N/N=C(/C)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C20H30Cl2N2O/c1-3-4-5-6-7-8-9-10-11-12-20(25)24-23-16(2)17-13-14-18(21)19(22)15-17/h13-15H,3-12H2,1-2H3,(H,24,25)/b23-16-
InChIKeyOYXWKRAICMFUGP-KQWNVCNZSA-N
XLogP6.75
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.38
LogP ≤ 56.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N,N'-bis[1-(3,4-dichlorophenyl)ethylideneamino]octanediamide
CID 3439287
N,N'-bis[1-(3,4-dichlorophenyl)ethylideneamino]butanediamide
CID 3636545
N-[1-(4-chlorophenyl)ethylideneamino]dodecanamide
CID 3558408
N-[1-(3,4-dimethylphenyl)ethylideneamino]undecanamide
CID 3644436
N-[(E)-1-(4-aminophenyl)ethylideneamino]decanamide
CID 6177715
N-[(Z)-1-pyridin-4-ylethylideneamino]nonanamide
CID 6373697
N-[1-(4-ethylphenyl)ethylideneamino]heptanamide
CID 3659452
N-[1-(4-ethylphenyl)ethylideneamino]nonanamide
CID 4685925
N-[(E)-1-(3-bromophenyl)ethylideneamino]undecanamide
CID 19685706
N-[(E)-1-(3-hydroxyphenyl)ethylideneamino]decanamide
CID 19685450
N-[(E)-1-(4-phenylphenyl)ethylideneamino]octanamide
CID 6163036
4-chloro-N-[3-[N-(dodecanoylamino)-C-methylcarbonimidoyl]phenyl]benzamide
CID 4280709

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(3,4-dichlorophenyl)ethylideneamino]dodecanamide?
The IUPAC name of N-[(Z)-1-(3,4-dichlorophenyl)ethylideneamino]dodecanamide (CID 6059481) is N-[(Z)-1-(3,4-dichlorophenyl)ethylideneamino]dodecanamide.
What is the SMILES notation for N-[(Z)-1-(3,4-dichlorophenyl)ethylideneamino]dodecanamide?
The canonical SMILES for N-[(Z)-1-(3,4-dichlorophenyl)ethylideneamino]dodecanamide is CCCCCCCCCCCC(=O)N/N=C(/C)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-[(Z)-1-(3,4-dichlorophenyl)ethylideneamino]dodecanamide?
The InChIKey is OYXWKRAICMFUGP-KQWNVCNZSA-N. The full InChI is InChI=1S/C20H30Cl2N2O/c1-3-4-5-6-7-8-9-10-11-12-20(25)24-23-16(2)17-13-14-18(21)19(22)15-17/h13-15H,3-12H2,1-2H3,(H,24,25)/b23-16-.
What are the key properties of N-[(Z)-1-(3,4-dichlorophenyl)ethylideneamino]dodecanamide?
N-[(Z)-1-(3,4-dichlorophenyl)ethylideneamino]dodecanamide has a molecular weight of 385.38 g/mol, XLogP of 6.75, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(3,4-dichlorophenyl)ethylideneamino]dodecanamide is sourced from PubChem (CID 6059481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).