N-[1-(4-chlorophenyl)ethylideneamino]dodecanamide

C20H31ClN2O — CID 3558408

IUPACN-[1-(4-chlorophenyl)ethylideneamino]dodecanamide
SMILESCCCCCCCCCCCC(=O)NN=C(C)c1ccc(Cl)cc1
InChIInChI=1S/C20H31ClN2O/c1-3-4-5-6-7-8-9-10-11-12-20(24)23-22-17(2)18-13-15-19(21)16-14-18/h13-16H,3-12H2,1-2H3,(H,23,24)
InChIKeyBIDYCEOGOOEKPI-UHFFFAOYSA-N
MW350.93 g/mol
LogP6.10
Rot. Bonds12

About N-[1-(4-chlorophenyl)ethylideneamino]dodecanamide

N-[1-(4-chlorophenyl)ethylideneamino]dodecanamide (PubChem CID 3558408) has the molecular formula C20H31ClN2O and a molecular weight of 350.93 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)ethylideneamino]dodecanamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)ethylideneamino]dodecanamide
PubChem CID3558408
Molecular FormulaC20H31ClN2O
Molecular Weight350.93 g/mol
Exact Mass350.21
IUPAC NameN-[1-(4-chlorophenyl)ethylideneamino]dodecanamide
SMILESCCCCCCCCCCCC(=O)NN=C(C)c1ccc(Cl)cc1
InChIInChI=1S/C20H31ClN2O/c1-3-4-5-6-7-8-9-10-11-12-20(24)23-22-17(2)18-13-15-19(21)16-14-18/h13-16H,3-12H2,1-2H3,(H,23,24)
InChIKeyBIDYCEOGOOEKPI-UHFFFAOYSA-N
XLogP6.10
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.93
LogP ≤ 56.10
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'}

Analyze N-[1-(4-chlorophenyl)ethylideneamino]dodecanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-N-[4-[N-(hexanoylamino)-C-methylcarbonimidoyl]phenyl]benzamide
CID 5075525
N-[(E)-1-[4-[(4-chlorophenyl)methoxy]phenyl]ethylideneamino]octanamide
CID 91972462
N,N'-bis[1-(4-chlorophenyl)ethylideneamino]butanediamide
CID 3140698
N-[1-(4-ethylphenyl)ethylideneamino]heptanamide
CID 3659452
N-[1-(4-ethylphenyl)ethylideneamino]nonanamide
CID 4685925
N-[(E)-1-(4-aminophenyl)ethylideneamino]decanamide
CID 6177715
N-[(Z)-1-(3,4-dichlorophenyl)ethylideneamino]dodecanamide
CID 6059481
N-[(E)-1-(4-phenylphenyl)ethylideneamino]octanamide
CID 6163036
N-[(Z)-1-pyridin-4-ylethylideneamino]nonanamide
CID 6373697
N-[(E)-1-(4-chlorophenyl)propylideneamino]hexanamide
CID 6029977
N-[1-(4-phenylphenyl)ethylideneamino]hexanamide
CID 3111304
4-chloro-N-[3-[N-(dodecanoylamino)-C-methylcarbonimidoyl]phenyl]benzamide
CID 4280709

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)ethylideneamino]dodecanamide?
The IUPAC name of N-[1-(4-chlorophenyl)ethylideneamino]dodecanamide (CID 3558408) is N-[1-(4-chlorophenyl)ethylideneamino]dodecanamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)ethylideneamino]dodecanamide?
The canonical SMILES for N-[1-(4-chlorophenyl)ethylideneamino]dodecanamide is CCCCCCCCCCCC(=O)NN=C(C)c1ccc(Cl)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)ethylideneamino]dodecanamide?
The InChIKey is BIDYCEOGOOEKPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31ClN2O/c1-3-4-5-6-7-8-9-10-11-12-20(24)23-22-17(2)18-13-15-19(21)16-14-18/h13-16H,3-12H2,1-2H3,(H,23,24).
What are the key properties of N-[1-(4-chlorophenyl)ethylideneamino]dodecanamide?
N-[1-(4-chlorophenyl)ethylideneamino]dodecanamide has a molecular weight of 350.93 g/mol, XLogP of 6.10, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)ethylideneamino]dodecanamide is sourced from PubChem (CID 3558408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).