N-(2-chlorophenyl)-2-(6,8-dichloro-4-oxo-2-phenylchromen-3-yl)oxyacetamide

C23H14Cl3NO4 — CID 21001674

IUPACN-(2-chlorophenyl)-2-(6,8-dichloro-4-oxo-2-phenylchromen-3-yl)oxyacetamide
SMILESO=C(COc1c(-c2ccccc2)oc2c(Cl)cc(Cl)cc2c1=O)Nc1ccccc1Cl
InChIInChI=1S/C23H14Cl3NO4/c24-14-10-15-20(29)23(30-12-19(28)27-18-9-5-4-8-16(18)25)21(13-6-2-1-3-7-13)31-22(15)17(26)11-14/h1-11H,12H2,(H,27,28)
InChIKeyUEZXSFCKBAOGNU-UHFFFAOYSA-N
MW474.73 g/mol
LogP6.44
Rot. Bonds5

About N-(2-chlorophenyl)-2-(6,8-dichloro-4-oxo-2-phenylchromen-3-yl)oxyacetamide

N-(2-chlorophenyl)-2-(6,8-dichloro-4-oxo-2-phenylchromen-3-yl)oxyacetamide (PubChem CID 21001674) has the molecular formula C23H14Cl3NO4 and a molecular weight of 474.73 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-(6,8-dichloro-4-oxo-2-phenylchromen-3-yl)oxyacetamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-(6,8-dichloro-4-oxo-2-phenylchromen-3-yl)oxyacetamide
PubChem CID21001674
Molecular FormulaC23H14Cl3NO4
Molecular Weight474.73 g/mol
Exact Mass473.00
IUPAC NameN-(2-chlorophenyl)-2-(6,8-dichloro-4-oxo-2-phenylchromen-3-yl)oxyacetamide
SMILESO=C(COc1c(-c2ccccc2)oc2c(Cl)cc(Cl)cc2c1=O)Nc1ccccc1Cl
InChIInChI=1S/C23H14Cl3NO4/c24-14-10-15-20(29)23(30-12-19(28)27-18-9-5-4-8-16(18)25)21(13-6-2-1-3-7-13)31-22(15)17(26)11-14/h1-11H,12H2,(H,27,28)
InChIKeyUEZXSFCKBAOGNU-UHFFFAOYSA-N
XLogP6.44
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.73
LogP ≤ 56.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(6,8-dichloro-4-oxo-2-phenylchromen-3-yl)oxyacetic acid
CID 7747825
methyl 3-[[2-(6,8-dichloro-4-oxo-2-phenylchromen-3-yl)oxyacetyl]amino]benzoate
CID 21001683
2-(6-chloro-4-oxo-2-phenylchromen-3-yl)oxy-N-(2-fluorophenyl)acetamide
CID 21000237
(2R)-2-(6,8-dichloro-4-oxo-2-phenylchromen-3-yl)oxypropanoic acid
CID 7747832
2-[6-chloro-2-(4-chlorophenyl)-4-oxochromen-3-yl]oxy-N-(2-fluorophenyl)acetamide
CID 21000460
ethyl 4-[(6,8-dichloro-4-oxo-2-phenylchromen-3-yl)oxymethyl]benzoate
CID 21001647
6,8-dichloro-3-[(3-methylphenyl)methoxy]-2-phenylchromen-4-one
CID 7747823
(6,8-dichloro-4-oxo-2-phenylchromen-3-yl) 2-oxochromene-3-carboxylate
CID 21001638
(6,8-dichloro-4-oxo-2-phenylchromen-3-yl) 3-methoxybenzoate
CID 21001633
2-[2-(4-chlorophenyl)-6,7-dimethyl-4-oxochromen-3-yl]oxy-N-(2-fluorophenyl)acetamide
CID 20999729
2-[6-chloro-7-methyl-2-(4-methylphenyl)-4-oxochromen-3-yl]oxy-N-(3-chloro-2-methylphenyl)acetamide
CID 21001051
6,8-dichloro-3-[2-(4-methoxyphenyl)-2-oxoethoxy]-2-(4-methylphenyl)chromen-4-one
CID 21001729

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-(6,8-dichloro-4-oxo-2-phenylchromen-3-yl)oxyacetamide?
The IUPAC name of N-(2-chlorophenyl)-2-(6,8-dichloro-4-oxo-2-phenylchromen-3-yl)oxyacetamide (CID 21001674) is N-(2-chlorophenyl)-2-(6,8-dichloro-4-oxo-2-phenylchromen-3-yl)oxyacetamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-(6,8-dichloro-4-oxo-2-phenylchromen-3-yl)oxyacetamide?
The canonical SMILES for N-(2-chlorophenyl)-2-(6,8-dichloro-4-oxo-2-phenylchromen-3-yl)oxyacetamide is O=C(COc1c(-c2ccccc2)oc2c(Cl)cc(Cl)cc2c1=O)Nc1ccccc1Cl.
What is the InChIKey of N-(2-chlorophenyl)-2-(6,8-dichloro-4-oxo-2-phenylchromen-3-yl)oxyacetamide?
The InChIKey is UEZXSFCKBAOGNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14Cl3NO4/c24-14-10-15-20(29)23(30-12-19(28)27-18-9-5-4-8-16(18)25)21(13-6-2-1-3-7-13)31-22(15)17(26)11-14/h1-11H,12H2,(H,27,28).
What are the key properties of N-(2-chlorophenyl)-2-(6,8-dichloro-4-oxo-2-phenylchromen-3-yl)oxyacetamide?
N-(2-chlorophenyl)-2-(6,8-dichloro-4-oxo-2-phenylchromen-3-yl)oxyacetamide has a molecular weight of 474.73 g/mol, XLogP of 6.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-(6,8-dichloro-4-oxo-2-phenylchromen-3-yl)oxyacetamide is sourced from PubChem (CID 21001674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).