2-[6-chloro-2-(2-chlorophenyl)-7-methyl-4-oxochromen-3-yl]oxy-N-(2,6-diethylphenyl)propanamide

C29H27Cl2NO4 — CID 21001305

IUPAC2-[6-chloro-2-(2-chlorophenyl)-7-methyl-4-oxochromen-3-yl]oxy-N-(2,6-diethylphenyl)propanamide
SMILESCCc1cccc(CC)c1NC(=O)C(C)Oc1c(-c2ccccc2Cl)oc2cc(C)c(Cl)cc2c1=O
InChIInChI=1S/C29H27Cl2NO4/c1-5-18-10-9-11-19(6-2)25(18)32-29(34)17(4)35-28-26(33)21-15-23(31)16(3)14-24(21)36-27(28)20-12-7-8-13-22(20)30/h7-15,17H,5-6H2,1-4H3,(H,32,34)
InChIKeyCJZOLJZWJJCGLR-UHFFFAOYSA-N
MW524.44 g/mol
LogP7.61
Rot. Bonds7

About 2-[6-chloro-2-(2-chlorophenyl)-7-methyl-4-oxochromen-3-yl]oxy-N-(2,6-diethylphenyl)propanamide

2-[6-chloro-2-(2-chlorophenyl)-7-methyl-4-oxochromen-3-yl]oxy-N-(2,6-diethylphenyl)propanamide (PubChem CID 21001305) has the molecular formula C29H27Cl2NO4 and a molecular weight of 524.44 g/mol. Its IUPAC name is 2-[6-chloro-2-(2-chlorophenyl)-7-methyl-4-oxochromen-3-yl]oxy-N-(2,6-diethylphenyl)propanamide.

Molecular Properties

Compound Name2-[6-chloro-2-(2-chlorophenyl)-7-methyl-4-oxochromen-3-yl]oxy-N-(2,6-diethylphenyl)propanamide
PubChem CID21001305
Molecular FormulaC29H27Cl2NO4
Molecular Weight524.44 g/mol
Exact Mass523.13
IUPAC Name2-[6-chloro-2-(2-chlorophenyl)-7-methyl-4-oxochromen-3-yl]oxy-N-(2,6-diethylphenyl)propanamide
SMILESCCc1cccc(CC)c1NC(=O)C(C)Oc1c(-c2ccccc2Cl)oc2cc(C)c(Cl)cc2c1=O
InChIInChI=1S/C29H27Cl2NO4/c1-5-18-10-9-11-19(6-2)25(18)32-29(34)17(4)35-28-26(33)21-15-23(31)16(3)14-24(21)36-27(28)20-12-7-8-13-22(20)30/h7-15,17H,5-6H2,1-4H3,(H,32,34)
InChIKeyCJZOLJZWJJCGLR-UHFFFAOYSA-N
XLogP7.61
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.44
LogP ≤ 57.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[6-chloro-2-(2-chlorophenyl)-7-methyl-4-oxochromen-3-yl]oxy-N-(2,6-diethylphenyl)propanamide 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-[6-chloro-2-(3,4-dimethoxyphenyl)-7-methyl-4-oxochromen-3-yl]oxy-N-(2-chlorophenyl)propanamide
CID 21001457
[6-chloro-2-(2-chlorophenyl)-7-methyl-4-oxochromen-3-yl] 2-(2,4-dichlorophenoxy)propanoate
CID 21001547
2-[6-chloro-2-(furan-2-yl)-7-methyl-4-oxochromen-3-yl]oxy-N-(4-ethoxyphenyl)propanamide
CID 21001500
ethyl 2-[2-(2-chlorophenyl)-6,7-dimethyl-4-oxochromen-3-yl]oxyacetate
CID 7742658
ethyl (2S)-2-[6-chloro-7-methyl-2-(4-methylphenyl)-4-oxochromen-3-yl]oxypropanoate
CID 7747648
2-[2-(2-chlorophenyl)-6,7-dimethyl-4-oxochromen-3-yl]oxyacetamide
CID 7742654
[6-chloro-2-(2-chlorophenyl)-7-methyl-4-oxochromen-3-yl] 2-oxochromene-3-carboxylate
CID 21001559
(2S)-N-(2,6-diethylphenyl)-2-(2-ethylphenoxy)propanamide
CID 28564810
2-[2-(2-chlorophenyl)-6,7-dimethyl-4-oxochromen-3-yl]oxy-N-(4-phenoxyphenyl)acetamide
CID 20999683
methyl 2-[2-[2-(2-chlorophenyl)-4-oxochromen-3-yl]oxypropanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 46303238
2-(2-chlorophenyl)-6,7-dimethyl-3-[(3-methylphenyl)methoxy]chromen-4-one
CID 7742670
[2-(2-chlorophenyl)-6,7-dimethyl-4-oxochromen-3-yl] furan-2-carboxylate
CID 7742643

Frequently Asked Questions

What is the IUPAC name of 2-[6-chloro-2-(2-chlorophenyl)-7-methyl-4-oxochromen-3-yl]oxy-N-(2,6-diethylphenyl)propanamide?
The IUPAC name of 2-[6-chloro-2-(2-chlorophenyl)-7-methyl-4-oxochromen-3-yl]oxy-N-(2,6-diethylphenyl)propanamide (CID 21001305) is 2-[6-chloro-2-(2-chlorophenyl)-7-methyl-4-oxochromen-3-yl]oxy-N-(2,6-diethylphenyl)propanamide.
What is the SMILES notation for 2-[6-chloro-2-(2-chlorophenyl)-7-methyl-4-oxochromen-3-yl]oxy-N-(2,6-diethylphenyl)propanamide?
The canonical SMILES for 2-[6-chloro-2-(2-chlorophenyl)-7-methyl-4-oxochromen-3-yl]oxy-N-(2,6-diethylphenyl)propanamide is CCc1cccc(CC)c1NC(=O)C(C)Oc1c(-c2ccccc2Cl)oc2cc(C)c(Cl)cc2c1=O.
What is the InChIKey of 2-[6-chloro-2-(2-chlorophenyl)-7-methyl-4-oxochromen-3-yl]oxy-N-(2,6-diethylphenyl)propanamide?
The InChIKey is CJZOLJZWJJCGLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27Cl2NO4/c1-5-18-10-9-11-19(6-2)25(18)32-29(34)17(4)35-28-26(33)21-15-23(31)16(3)14-24(21)36-27(28)20-12-7-8-13-22(20)30/h7-15,17H,5-6H2,1-4H3,(H,32,34).
What are the key properties of 2-[6-chloro-2-(2-chlorophenyl)-7-methyl-4-oxochromen-3-yl]oxy-N-(2,6-diethylphenyl)propanamide?
2-[6-chloro-2-(2-chlorophenyl)-7-methyl-4-oxochromen-3-yl]oxy-N-(2,6-diethylphenyl)propanamide has a molecular weight of 524.44 g/mol, XLogP of 7.61, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-chloro-2-(2-chlorophenyl)-7-methyl-4-oxochromen-3-yl]oxy-N-(2,6-diethylphenyl)propanamide is sourced from PubChem (CID 21001305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).