2-[2-(2-chlorophenyl)-6,7-dimethyl-4-oxochromen-3-yl]oxyacetamide

C19H16ClNO4 — CID 7742654

IUPAC2-[2-(2-chlorophenyl)-6,7-dimethyl-4-oxochromen-3-yl]oxyacetamide
SMILESCc1cc2oc(-c3ccccc3Cl)c(OCC(N)=O)c(=O)c2cc1C
InChIInChI=1S/C19H16ClNO4/c1-10-7-13-15(8-11(10)2)25-18(12-5-3-4-6-14(12)20)19(17(13)23)24-9-16(21)22/h3-8H,9H2,1-2H3,(H2,21,22)
InChIKeyVOEYZZRAIGSTDF-UHFFFAOYSA-N
MW357.79 g/mol
LogP3.59
Rot. Bonds4

About 2-[2-(2-chlorophenyl)-6,7-dimethyl-4-oxochromen-3-yl]oxyacetamide

2-[2-(2-chlorophenyl)-6,7-dimethyl-4-oxochromen-3-yl]oxyacetamide (PubChem CID 7742654) has the molecular formula C19H16ClNO4 and a molecular weight of 357.79 g/mol. Its IUPAC name is 2-[2-(2-chlorophenyl)-6,7-dimethyl-4-oxochromen-3-yl]oxyacetamide.

Molecular Properties

Compound Name2-[2-(2-chlorophenyl)-6,7-dimethyl-4-oxochromen-3-yl]oxyacetamide
PubChem CID7742654
Molecular FormulaC19H16ClNO4
Molecular Weight357.79 g/mol
Exact Mass357.08
IUPAC Name2-[2-(2-chlorophenyl)-6,7-dimethyl-4-oxochromen-3-yl]oxyacetamide
SMILESCc1cc2oc(-c3ccccc3Cl)c(OCC(N)=O)c(=O)c2cc1C
InChIInChI=1S/C19H16ClNO4/c1-10-7-13-15(8-11(10)2)25-18(12-5-3-4-6-14(12)20)19(17(13)23)24-9-16(21)22/h3-8H,9H2,1-2H3,(H2,21,22)
InChIKeyVOEYZZRAIGSTDF-UHFFFAOYSA-N
XLogP3.59
TPSA82.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.79
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[2-(2-chlorophenyl)-6,7-dimethyl-4-oxochromen-3-yl]oxyacetate
CID 7742658
2-[2-(2-chlorophenyl)-6,7-dimethyl-4-oxochromen-3-yl]oxy-N-(4-phenoxyphenyl)acetamide
CID 20999683
2-(2-chlorophenyl)-3-[(3,4-dichlorophenyl)methoxy]-6,7-dimethylchromen-4-one
CID 20999641
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
methyl 2-[2-(2-chlorophenyl)-5,7-dimethyl-4-oxochromen-3-yl]oxyacetate
CID 1413359
2-[6-chloro-2-(2-chlorophenyl)-7-methyl-4-oxochromen-3-yl]oxy-N-(2,6-diethylphenyl)propanamide
CID 21001305
[6-chloro-2-(2-chlorophenyl)-7-methyl-4-oxochromen-3-yl] 2-oxochromene-3-carboxylate
CID 21001559
[6-chloro-2-(2-chlorophenyl)-7-methyl-4-oxochromen-3-yl] 2-(2,4-dichlorophenoxy)propanoate
CID 21001547
ethyl 2-[2-(furan-2-yl)-6,7-dimethyl-4-oxochromen-3-yl]oxyacetate
CID 7742889
2-(4-oxo-2-phenylchromen-3-yl)oxyacetamide
CID 735033
2-[2-(4-chlorophenyl)-6,7-dimethyl-4-oxochromen-3-yl]oxy-N-(2-fluorophenyl)acetamide
CID 20999729

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-chlorophenyl)-6,7-dimethyl-4-oxochromen-3-yl]oxyacetamide?
The IUPAC name of 2-[2-(2-chlorophenyl)-6,7-dimethyl-4-oxochromen-3-yl]oxyacetamide (CID 7742654) is 2-[2-(2-chlorophenyl)-6,7-dimethyl-4-oxochromen-3-yl]oxyacetamide.
What is the SMILES notation for 2-[2-(2-chlorophenyl)-6,7-dimethyl-4-oxochromen-3-yl]oxyacetamide?
The canonical SMILES for 2-[2-(2-chlorophenyl)-6,7-dimethyl-4-oxochromen-3-yl]oxyacetamide is Cc1cc2oc(-c3ccccc3Cl)c(OCC(N)=O)c(=O)c2cc1C.
What is the InChIKey of 2-[2-(2-chlorophenyl)-6,7-dimethyl-4-oxochromen-3-yl]oxyacetamide?
The InChIKey is VOEYZZRAIGSTDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClNO4/c1-10-7-13-15(8-11(10)2)25-18(12-5-3-4-6-14(12)20)19(17(13)23)24-9-16(21)22/h3-8H,9H2,1-2H3,(H2,21,22).
What are the key properties of 2-[2-(2-chlorophenyl)-6,7-dimethyl-4-oxochromen-3-yl]oxyacetamide?
2-[2-(2-chlorophenyl)-6,7-dimethyl-4-oxochromen-3-yl]oxyacetamide has a molecular weight of 357.79 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-chlorophenyl)-6,7-dimethyl-4-oxochromen-3-yl]oxyacetamide is sourced from PubChem (CID 7742654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).