2,4-dichloro-N-[2-[[2-(2-naphthalen-2-yloxyethylamino)-2-oxoethyl]amino]-2-oxoethyl]benzamide

C23H21Cl2N3O4 — CID 26976720

IUPAC2,4-dichloro-N-[2-[[2-(2-naphthalen-2-yloxyethylamino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)CNC(=O)c1ccc(Cl)cc1Cl)NCCOc1ccc2ccccc2c1
InChIInChI=1S/C23H21Cl2N3O4/c24-17-6-8-19(20(25)12-17)23(31)28-14-22(30)27-13-21(29)26-9-10-32-18-7-5-15-3-1-2-4-16(15)11-18/h1-8,11-12H,9-10,13-14H2,(H,26,29)(H,27,30)(H,28,31)
InChIKeyIVYAHTWLRFAUEY-UHFFFAOYSA-N
MW474.34 g/mol
LogP3.19
Rot. Bonds9

About 2,4-dichloro-N-[2-[[2-(2-naphthalen-2-yloxyethylamino)-2-oxoethyl]amino]-2-oxoethyl]benzamide

2,4-dichloro-N-[2-[[2-(2-naphthalen-2-yloxyethylamino)-2-oxoethyl]amino]-2-oxoethyl]benzamide (PubChem CID 26976720) has the molecular formula C23H21Cl2N3O4 and a molecular weight of 474.34 g/mol. Its IUPAC name is 2,4-dichloro-N-[2-[[2-(2-naphthalen-2-yloxyethylamino)-2-oxoethyl]amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[2-[[2-(2-naphthalen-2-yloxyethylamino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
PubChem CID26976720
Molecular FormulaC23H21Cl2N3O4
Molecular Weight474.34 g/mol
Exact Mass473.09
IUPAC Name2,4-dichloro-N-[2-[[2-(2-naphthalen-2-yloxyethylamino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)CNC(=O)c1ccc(Cl)cc1Cl)NCCOc1ccc2ccccc2c1
InChIInChI=1S/C23H21Cl2N3O4/c24-17-6-8-19(20(25)12-17)23(31)28-14-22(30)27-13-21(29)26-9-10-32-18-7-5-15-3-1-2-4-16(15)11-18/h1-8,11-12H,9-10,13-14H2,(H,26,29)(H,27,30)(H,28,31)
InChIKeyIVYAHTWLRFAUEY-UHFFFAOYSA-N
XLogP3.19
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.34
LogP ≤ 53.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2,4-dichloro-N-[2-[[2-(2-naphthalen-2-yloxyethylamino)-2-oxoethyl]amino]-2-oxoethyl]benzamide 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

2-chloro-N-[2-oxo-2-(2-phenoxyethylamino)ethyl]benzamide
CID 26676807
2-chloro-N-[2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl]benzamide
CID 9022566
2,4-dichloro-N-(2-naphthalen-1-yloxyethyl)benzamide
CID 19174593
N-(2-methoxyethyl)-2-[(2-naphthalen-2-yloxyacetyl)amino]acetamide
CID 24517119
N-[2-[2-(3-chlorophenoxy)ethylamino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide
CID 51122290
N-[2-[2-(4-chlorophenoxy)ethylamino]-2-oxoethyl]benzamide
CID 27861644
N-[2-[[2-(butylamino)-2-oxoethyl]amino]-2-oxoethyl]-2,4-dichlorobenzamide
CID 36930188
2-phenoxyethyl 2-[(2,4-dichlorobenzoyl)amino]acetate
CID 7843771
[2-[2-(4-chlorophenoxy)ethylamino]-2-oxoethyl] 2-naphthalen-2-yloxyacetate
CID 9491672
2,4-dichloro-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]benzamide
CID 24637845
3-chloro-N-[2-[2-(4-methoxyphenoxy)ethylamino]-2-oxoethyl]benzamide
CID 24637931
2,4-dichloro-N-[2-oxo-2-[[2-oxo-2-(4-phenylanilino)ethyl]amino]ethyl]benzamide
CID 4796634

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[2-[[2-(2-naphthalen-2-yloxyethylamino)-2-oxoethyl]amino]-2-oxoethyl]benzamide?
The IUPAC name of 2,4-dichloro-N-[2-[[2-(2-naphthalen-2-yloxyethylamino)-2-oxoethyl]amino]-2-oxoethyl]benzamide (CID 26976720) is 2,4-dichloro-N-[2-[[2-(2-naphthalen-2-yloxyethylamino)-2-oxoethyl]amino]-2-oxoethyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[2-[[2-(2-naphthalen-2-yloxyethylamino)-2-oxoethyl]amino]-2-oxoethyl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[2-[[2-(2-naphthalen-2-yloxyethylamino)-2-oxoethyl]amino]-2-oxoethyl]benzamide is O=C(CNC(=O)CNC(=O)c1ccc(Cl)cc1Cl)NCCOc1ccc2ccccc2c1.
What is the InChIKey of 2,4-dichloro-N-[2-[[2-(2-naphthalen-2-yloxyethylamino)-2-oxoethyl]amino]-2-oxoethyl]benzamide?
The InChIKey is IVYAHTWLRFAUEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21Cl2N3O4/c24-17-6-8-19(20(25)12-17)23(31)28-14-22(30)27-13-21(29)26-9-10-32-18-7-5-15-3-1-2-4-16(15)11-18/h1-8,11-12H,9-10,13-14H2,(H,26,29)(H,27,30)(H,28,31).
What are the key properties of 2,4-dichloro-N-[2-[[2-(2-naphthalen-2-yloxyethylamino)-2-oxoethyl]amino]-2-oxoethyl]benzamide?
2,4-dichloro-N-[2-[[2-(2-naphthalen-2-yloxyethylamino)-2-oxoethyl]amino]-2-oxoethyl]benzamide has a molecular weight of 474.34 g/mol, XLogP of 3.19, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[2-[[2-(2-naphthalen-2-yloxyethylamino)-2-oxoethyl]amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 26976720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).