N-[1-(2,4-dichlorophenyl)propylideneamino]-2-naphthalen-1-ylacetamide

C21H18Cl2N2O — CID 4133962

IUPACN-[1-(2,4-dichlorophenyl)propylideneamino]-2-naphthalen-1-ylacetamide
SMILESCCC(=NNC(=O)Cc1cccc2ccccc12)c1ccc(Cl)cc1Cl
InChIInChI=1S/C21H18Cl2N2O/c1-2-20(18-11-10-16(22)13-19(18)23)24-25-21(26)12-15-8-5-7-14-6-3-4-9-17(14)15/h3-11,13H,2,12H2,1H3,(H,25,26)
InChIKeyQZYWGLYVQNSAEJ-UHFFFAOYSA-N
MW385.29 g/mol
LogP5.62
Rot. Bonds5

About N-[1-(2,4-dichlorophenyl)propylideneamino]-2-naphthalen-1-ylacetamide

N-[1-(2,4-dichlorophenyl)propylideneamino]-2-naphthalen-1-ylacetamide (PubChem CID 4133962) has the molecular formula C21H18Cl2N2O and a molecular weight of 385.29 g/mol. Its IUPAC name is N-[1-(2,4-dichlorophenyl)propylideneamino]-2-naphthalen-1-ylacetamide.

Molecular Properties

Compound NameN-[1-(2,4-dichlorophenyl)propylideneamino]-2-naphthalen-1-ylacetamide
PubChem CID4133962
Molecular FormulaC21H18Cl2N2O
Molecular Weight385.29 g/mol
Exact Mass384.08
IUPAC NameN-[1-(2,4-dichlorophenyl)propylideneamino]-2-naphthalen-1-ylacetamide
SMILESCCC(=NNC(=O)Cc1cccc2ccccc12)c1ccc(Cl)cc1Cl
InChIInChI=1S/C21H18Cl2N2O/c1-2-20(18-11-10-16(22)13-19(18)23)24-25-21(26)12-15-8-5-7-14-6-3-4-9-17(14)15/h3-11,13H,2,12H2,1H3,(H,25,26)
InChIKeyQZYWGLYVQNSAEJ-UHFFFAOYSA-N
XLogP5.62
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.29
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[1-(2,4-dichlorophenyl)propylideneamino]-2-naphthalen-1-ylacetamide 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

N-[1-(2,4-dichlorophenyl)propylideneamino]nonanamide
CID 4154549
N-[(E)-1-(2,4-dichlorophenyl)propylideneamino]nonanamide
CID 6023036
N-[(E)-1-(4-hydroxyphenyl)propylideneamino]-2-naphthalen-1-ylacetamide
CID 135588935
N-[1-(4-methylphenyl)propylideneamino]-2-naphthalen-1-ylacetamide
CID 4153333
N'-[1-(2,4-dichlorophenyl)propylideneamino]oxamide
CID 4181307
N-[(Z)-1-(2,4-dichlorophenyl)propylideneamino]cyclopropanecarboxamide
CID 6300945
N-[(E)-1-(2,4-dichlorophenyl)propylideneamino]-3-methylbenzamide
CID 19685167
4-tert-butyl-N-[1-(2,4-dichlorophenyl)propylideneamino]benzamide
CID 3681131
N-[(Z)-1-(2,4-dihydroxyphenyl)ethylideneamino]-2-naphthalen-1-ylacetamide
CID 137166775
2,4-dichloro-N-[1-(4-chlorophenyl)propylideneamino]benzamide
CID 4063120
N-[(E)-1-(3-chlorophenyl)propylideneamino]-2-phenylacetamide
CID 6258037
N-(hexan-2-ylideneamino)-2-naphthalen-1-ylacetamide
CID 4066378

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dichlorophenyl)propylideneamino]-2-naphthalen-1-ylacetamide?
The IUPAC name of N-[1-(2,4-dichlorophenyl)propylideneamino]-2-naphthalen-1-ylacetamide (CID 4133962) is N-[1-(2,4-dichlorophenyl)propylideneamino]-2-naphthalen-1-ylacetamide.
What is the SMILES notation for N-[1-(2,4-dichlorophenyl)propylideneamino]-2-naphthalen-1-ylacetamide?
The canonical SMILES for N-[1-(2,4-dichlorophenyl)propylideneamino]-2-naphthalen-1-ylacetamide is CCC(=NNC(=O)Cc1cccc2ccccc12)c1ccc(Cl)cc1Cl.
What is the InChIKey of N-[1-(2,4-dichlorophenyl)propylideneamino]-2-naphthalen-1-ylacetamide?
The InChIKey is QZYWGLYVQNSAEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18Cl2N2O/c1-2-20(18-11-10-16(22)13-19(18)23)24-25-21(26)12-15-8-5-7-14-6-3-4-9-17(14)15/h3-11,13H,2,12H2,1H3,(H,25,26).
What are the key properties of N-[1-(2,4-dichlorophenyl)propylideneamino]-2-naphthalen-1-ylacetamide?
N-[1-(2,4-dichlorophenyl)propylideneamino]-2-naphthalen-1-ylacetamide has a molecular weight of 385.29 g/mol, XLogP of 5.62, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dichlorophenyl)propylideneamino]-2-naphthalen-1-ylacetamide is sourced from PubChem (CID 4133962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).