2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-methyl-N-[(2-methylphenyl)methyl]acetamide

C21H20ClNO4 — CID 4828466

IUPAC2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-methyl-N-[(2-methylphenyl)methyl]acetamide
SMILESCc1ccccc1CN(C)C(=O)COc1cc2oc(=O)cc(C)c2cc1Cl
InChIInChI=1S/C21H20ClNO4/c1-13-6-4-5-7-15(13)11-23(3)20(24)12-26-19-10-18-16(9-17(19)22)14(2)8-21(25)27-18/h4-10H,11-12H2,1-3H3
InChIKeyDNSNYMAOQOYYDT-UHFFFAOYSA-N
MW385.85 g/mol
LogP4.10
Rot. Bonds5

About 2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-methyl-N-[(2-methylphenyl)methyl]acetamide

2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-methyl-N-[(2-methylphenyl)methyl]acetamide (PubChem CID 4828466) has the molecular formula C21H20ClNO4 and a molecular weight of 385.85 g/mol. Its IUPAC name is 2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-methyl-N-[(2-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-methyl-N-[(2-methylphenyl)methyl]acetamide
PubChem CID4828466
Molecular FormulaC21H20ClNO4
Molecular Weight385.85 g/mol
Exact Mass385.11
IUPAC Name2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-methyl-N-[(2-methylphenyl)methyl]acetamide
SMILESCc1ccccc1CN(C)C(=O)COc1cc2oc(=O)cc(C)c2cc1Cl
InChIInChI=1S/C21H20ClNO4/c1-13-6-4-5-7-15(13)11-23(3)20(24)12-26-19-10-18-16(9-17(19)22)14(2)8-21(25)27-18/h4-10H,11-12H2,1-3H3
InChIKeyDNSNYMAOQOYYDT-UHFFFAOYSA-N
XLogP4.10
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.85
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-methyl-N-[(2-methylphenyl)methyl]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

2-(2-chloro-5-methylphenoxy)-N-methyl-N-[(2-methylphenyl)methyl]acetamide
CID 112775470
2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methylacetamide
CID 43033048
methyl 2-[[2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxyacetyl]-methylamino]benzoate
CID 4901833
2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxyacetic acid
CID 782909
ethyl 2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxyacetate
CID 782904
2-(2-bromophenoxy)-N-methyl-N-[(2-methylphenyl)methyl]acetamide
CID 112777998
7-chloro-4-methyl-6-(2-oxopropoxy)chromen-2-one
CID 673994
tert-butyl 2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxyacetate
CID 854694
6-chloro-7-[2-(3-fluorophenyl)-2-oxoethoxy]-4-methylchromen-2-one
CID 8676919
methyl 2-[[2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]benzoate
CID 7954005
2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-propylacetamide
CID 4823145
6-chloro-4-methyl-7-[2-(5-methylthiophen-2-yl)-2-oxoethoxy]chromen-2-one
CID 8505671

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-methyl-N-[(2-methylphenyl)methyl]acetamide?
The IUPAC name of 2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-methyl-N-[(2-methylphenyl)methyl]acetamide (CID 4828466) is 2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-methyl-N-[(2-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-methyl-N-[(2-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-methyl-N-[(2-methylphenyl)methyl]acetamide is Cc1ccccc1CN(C)C(=O)COc1cc2oc(=O)cc(C)c2cc1Cl.
What is the InChIKey of 2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-methyl-N-[(2-methylphenyl)methyl]acetamide?
The InChIKey is DNSNYMAOQOYYDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClNO4/c1-13-6-4-5-7-15(13)11-23(3)20(24)12-26-19-10-18-16(9-17(19)22)14(2)8-21(25)27-18/h4-10H,11-12H2,1-3H3.
What are the key properties of 2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-methyl-N-[(2-methylphenyl)methyl]acetamide?
2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-methyl-N-[(2-methylphenyl)methyl]acetamide has a molecular weight of 385.85 g/mol, XLogP of 4.10, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-methyl-N-[(2-methylphenyl)methyl]acetamide is sourced from PubChem (CID 4828466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).