2-[6-chloro-2-(4-chlorophenyl)-4-oxochromen-3-yl]oxy-N-(3-methylphenyl)acetamide

C24H17Cl2NO4 — CID 21000454

IUPAC2-[6-chloro-2-(4-chlorophenyl)-4-oxochromen-3-yl]oxy-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)COc2c(-c3ccc(Cl)cc3)oc3ccc(Cl)cc3c2=O)c1
InChIInChI=1S/C24H17Cl2NO4/c1-14-3-2-4-18(11-14)27-21(28)13-30-24-22(29)19-12-17(26)9-10-20(19)31-23(24)15-5-7-16(25)8-6-15/h2-12H,13H2,1H3,(H,27,28)
InChIKeyPSWPWWOFUYOOSC-UHFFFAOYSA-N
MW454.31 g/mol
LogP6.09
Rot. Bonds5

About 2-[6-chloro-2-(4-chlorophenyl)-4-oxochromen-3-yl]oxy-N-(3-methylphenyl)acetamide

2-[6-chloro-2-(4-chlorophenyl)-4-oxochromen-3-yl]oxy-N-(3-methylphenyl)acetamide (PubChem CID 21000454) has the molecular formula C24H17Cl2NO4 and a molecular weight of 454.31 g/mol. Its IUPAC name is 2-[6-chloro-2-(4-chlorophenyl)-4-oxochromen-3-yl]oxy-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[6-chloro-2-(4-chlorophenyl)-4-oxochromen-3-yl]oxy-N-(3-methylphenyl)acetamide
PubChem CID21000454
Molecular FormulaC24H17Cl2NO4
Molecular Weight454.31 g/mol
Exact Mass453.05
IUPAC Name2-[6-chloro-2-(4-chlorophenyl)-4-oxochromen-3-yl]oxy-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)COc2c(-c3ccc(Cl)cc3)oc3ccc(Cl)cc3c2=O)c1
InChIInChI=1S/C24H17Cl2NO4/c1-14-3-2-4-18(11-14)27-21(28)13-30-24-22(29)19-12-17(26)9-10-20(19)31-23(24)15-5-7-16(25)8-6-15/h2-12H,13H2,1H3,(H,27,28)
InChIKeyPSWPWWOFUYOOSC-UHFFFAOYSA-N
XLogP6.09
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.31
LogP ≤ 56.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[6-chloro-2-(4-chlorophenyl)-4-oxochromen-3-yl]oxy-N-(4-methoxyphenyl)acetamide
CID 21000470
2-[6-chloro-2-(4-chlorophenyl)-4-oxochromen-3-yl]oxy-N-(2-fluorophenyl)acetamide
CID 21000460
N-(3,5-dichlorophenyl)-2-[6,7-dimethyl-2-(4-methylphenyl)-4-oxochromen-3-yl]oxyacetamide
CID 20999510
2-[2-(4-chlorophenyl)-6,7-dimethyl-4-oxochromen-3-yl]oxy-N-(4-fluorophenyl)acetamide
CID 20999730
2-(6-chloro-4-oxo-2-phenylchromen-3-yl)oxy-N-(2-fluorophenyl)acetamide
CID 21000237
2-[6-chloro-2-(4-chlorophenyl)-7-methyl-4-oxochromen-3-yl]oxy-N-(2,5-dimethylphenyl)acetamide
CID 21001210
6-chloro-3-ethoxy-2-(4-methylphenyl)chromen-4-one
CID 7746663
2-[2-(4-chlorophenyl)-6,7-dimethyl-4-oxochromen-3-yl]oxy-N-(2-fluorophenyl)acetamide
CID 20999729
N-(3-acetylphenyl)-2-(6-chloro-7-methyl-4-oxo-2-phenylchromen-3-yl)oxyacetamide
CID 21000991
6-chloro-3-[(4-chlorophenyl)methoxy]-2-(4-methylphenyl)chromen-4-one
CID 7746678
ethyl 4-[[2-[6-chloro-2-(4-chlorophenyl)-7-methyl-4-oxochromen-3-yl]oxyacetyl]amino]benzoate
CID 21001206
2-[6-chloro-7-methyl-2-(4-methylphenyl)-4-oxochromen-3-yl]oxy-N-(3-chloro-2-methylphenyl)acetamide
CID 21001051

Frequently Asked Questions

What is the IUPAC name of 2-[6-chloro-2-(4-chlorophenyl)-4-oxochromen-3-yl]oxy-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-[6-chloro-2-(4-chlorophenyl)-4-oxochromen-3-yl]oxy-N-(3-methylphenyl)acetamide (CID 21000454) is 2-[6-chloro-2-(4-chlorophenyl)-4-oxochromen-3-yl]oxy-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-[6-chloro-2-(4-chlorophenyl)-4-oxochromen-3-yl]oxy-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-[6-chloro-2-(4-chlorophenyl)-4-oxochromen-3-yl]oxy-N-(3-methylphenyl)acetamide is Cc1cccc(NC(=O)COc2c(-c3ccc(Cl)cc3)oc3ccc(Cl)cc3c2=O)c1.
What is the InChIKey of 2-[6-chloro-2-(4-chlorophenyl)-4-oxochromen-3-yl]oxy-N-(3-methylphenyl)acetamide?
The InChIKey is PSWPWWOFUYOOSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17Cl2NO4/c1-14-3-2-4-18(11-14)27-21(28)13-30-24-22(29)19-12-17(26)9-10-20(19)31-23(24)15-5-7-16(25)8-6-15/h2-12H,13H2,1H3,(H,27,28).
What are the key properties of 2-[6-chloro-2-(4-chlorophenyl)-4-oxochromen-3-yl]oxy-N-(3-methylphenyl)acetamide?
2-[6-chloro-2-(4-chlorophenyl)-4-oxochromen-3-yl]oxy-N-(3-methylphenyl)acetamide has a molecular weight of 454.31 g/mol, XLogP of 6.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-chloro-2-(4-chlorophenyl)-4-oxochromen-3-yl]oxy-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 21000454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).