2-(2,4-dichlorophenoxy)-N-methyl-N-[3-[(2-oxochromen-4-yl)amino]propyl]acetamide

C21H20Cl2N2O4 — CID 30342976

IUPAC2-(2,4-dichlorophenoxy)-N-methyl-N-[3-[(2-oxochromen-4-yl)amino]propyl]acetamide
SMILESCN(CCCNc1cc(=O)oc2ccccc12)C(=O)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C21H20Cl2N2O4/c1-25(20(26)13-28-19-8-7-14(22)11-16(19)23)10-4-9-24-17-12-21(27)29-18-6-3-2-5-15(17)18/h2-3,5-8,11-12,24H,4,9-10,13H2,1H3
InChIKeyACRKDPHRWKNHMQ-UHFFFAOYSA-N
MW435.31 g/mol
LogP4.44
Rot. Bonds8

About 2-(2,4-dichlorophenoxy)-N-methyl-N-[3-[(2-oxochromen-4-yl)amino]propyl]acetamide

2-(2,4-dichlorophenoxy)-N-methyl-N-[3-[(2-oxochromen-4-yl)amino]propyl]acetamide (PubChem CID 30342976) has the molecular formula C21H20Cl2N2O4 and a molecular weight of 435.31 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-methyl-N-[3-[(2-oxochromen-4-yl)amino]propyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-methyl-N-[3-[(2-oxochromen-4-yl)amino]propyl]acetamide
PubChem CID30342976
Molecular FormulaC21H20Cl2N2O4
Molecular Weight435.31 g/mol
Exact Mass434.08
IUPAC Name2-(2,4-dichlorophenoxy)-N-methyl-N-[3-[(2-oxochromen-4-yl)amino]propyl]acetamide
SMILESCN(CCCNc1cc(=O)oc2ccccc12)C(=O)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C21H20Cl2N2O4/c1-25(20(26)13-28-19-8-7-14(22)11-16(19)23)10-4-9-24-17-12-21(27)29-18-6-3-2-5-15(17)18/h2-3,5-8,11-12,24H,4,9-10,13H2,1H3
InChIKeyACRKDPHRWKNHMQ-UHFFFAOYSA-N
XLogP4.44
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.31
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(2,4-dichlorophenoxy)-N-methyl-N-[3-[(2-oxochromen-4-yl)amino]propyl]acetamide 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-methyl-N-[3-[(2-oxochromen-4-yl)amino]propyl]hexanamide
CID 30343075
N,4-dimethyl-N-[3-[(2-oxochromen-4-yl)amino]propyl]pentanamide
CID 30343078
N-methyl-N-[3-[(2-oxochromen-4-yl)amino]propyl]-4-propan-2-ylbenzamide
CID 30342817
N-benzyl-2-(2-nitrophenoxy)-N-[3-[(2-oxochromen-4-yl)amino]propyl]acetamide
CID 30343311
N-benzyl-2-(4-fluorophenoxy)-N-[3-[(2-oxochromen-4-yl)amino]propyl]acetamide
CID 30343292
2-(2,4-dichlorophenoxy)-N-(2-hydroxy-2-methylpropyl)-N-methylacetamide
CID 79291699
N-(2-cyanoethyl)-2-(2,4-dichlorophenoxy)-N-methylacetamide
CID 43213478
4-(2-aminoethylamino)chromen-2-one
CID 119085544
N-benzyl-N-[3-[(2-oxochromen-4-yl)amino]propyl]hexanamide
CID 30343425
2-(2,4-dichlorophenoxy)-N-(2-methoxydibenzofuran-3-yl)acetamide
CID 2788847
2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-methyl-N-[(2-methylphenyl)methyl]acetamide
CID 4828466
2-(2-chlorophenoxy)-N-(5-hydroxypentyl)-N-methylacetamide
CID 107202077

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-methyl-N-[3-[(2-oxochromen-4-yl)amino]propyl]acetamide?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-methyl-N-[3-[(2-oxochromen-4-yl)amino]propyl]acetamide (CID 30342976) is 2-(2,4-dichlorophenoxy)-N-methyl-N-[3-[(2-oxochromen-4-yl)amino]propyl]acetamide.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-methyl-N-[3-[(2-oxochromen-4-yl)amino]propyl]acetamide?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-methyl-N-[3-[(2-oxochromen-4-yl)amino]propyl]acetamide is CN(CCCNc1cc(=O)oc2ccccc12)C(=O)COc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-methyl-N-[3-[(2-oxochromen-4-yl)amino]propyl]acetamide?
The InChIKey is ACRKDPHRWKNHMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20Cl2N2O4/c1-25(20(26)13-28-19-8-7-14(22)11-16(19)23)10-4-9-24-17-12-21(27)29-18-6-3-2-5-15(17)18/h2-3,5-8,11-12,24H,4,9-10,13H2,1H3.
What are the key properties of 2-(2,4-dichlorophenoxy)-N-methyl-N-[3-[(2-oxochromen-4-yl)amino]propyl]acetamide?
2-(2,4-dichlorophenoxy)-N-methyl-N-[3-[(2-oxochromen-4-yl)amino]propyl]acetamide has a molecular weight of 435.31 g/mol, XLogP of 4.44, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-N-methyl-N-[3-[(2-oxochromen-4-yl)amino]propyl]acetamide is sourced from PubChem (CID 30342976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).