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

C23H14Cl2FNO4 — CID 21000460

IUPAC2-[6-chloro-2-(4-chlorophenyl)-4-oxochromen-3-yl]oxy-N-(2-fluorophenyl)acetamide
SMILESO=C(COc1c(-c2ccc(Cl)cc2)oc2ccc(Cl)cc2c1=O)Nc1ccccc1F
InChIInChI=1S/C23H14Cl2FNO4/c24-14-7-5-13(6-8-14)22-23(21(29)16-11-15(25)9-10-19(16)31-22)30-12-20(28)27-18-4-2-1-3-17(18)26/h1-11H,12H2,(H,27,28)
InChIKeyYTRFJWAMMFEJEN-UHFFFAOYSA-N
MW458.27 g/mol
LogP5.92
Rot. Bonds5

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

2-[6-chloro-2-(4-chlorophenyl)-4-oxochromen-3-yl]oxy-N-(2-fluorophenyl)acetamide (PubChem CID 21000460) has the molecular formula C23H14Cl2FNO4 and a molecular weight of 458.27 g/mol. Its IUPAC name is 2-[6-chloro-2-(4-chlorophenyl)-4-oxochromen-3-yl]oxy-N-(2-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[6-chloro-2-(4-chlorophenyl)-4-oxochromen-3-yl]oxy-N-(2-fluorophenyl)acetamide
PubChem CID21000460
Molecular FormulaC23H14Cl2FNO4
Molecular Weight458.27 g/mol
Exact Mass457.03
IUPAC Name2-[6-chloro-2-(4-chlorophenyl)-4-oxochromen-3-yl]oxy-N-(2-fluorophenyl)acetamide
SMILESO=C(COc1c(-c2ccc(Cl)cc2)oc2ccc(Cl)cc2c1=O)Nc1ccccc1F
InChIInChI=1S/C23H14Cl2FNO4/c24-14-7-5-13(6-8-14)22-23(21(29)16-11-15(25)9-10-19(16)31-22)30-12-20(28)27-18-4-2-1-3-17(18)26/h1-11H,12H2,(H,27,28)
InChIKeyYTRFJWAMMFEJEN-UHFFFAOYSA-N
XLogP5.92
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.27
LogP ≤ 55.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(6-chloro-4-oxo-2-phenylchromen-3-yl)oxy-N-(2-fluorophenyl)acetamide
CID 21000237
2-[2-(4-chlorophenyl)-6,7-dimethyl-4-oxochromen-3-yl]oxy-N-(2-fluorophenyl)acetamide
CID 20999729
2-[6-chloro-2-(4-chlorophenyl)-4-oxochromen-3-yl]oxy-N-(3-methylphenyl)acetamide
CID 21000454
2-[6-chloro-2-(4-chlorophenyl)-4-oxochromen-3-yl]oxy-N-(4-methoxyphenyl)acetamide
CID 21000470
2-[2-(4-chlorophenyl)-6,7-dimethyl-4-oxochromen-3-yl]oxy-N-(4-fluorophenyl)acetamide
CID 20999730
2-[6-chloro-2-(4-chlorophenyl)-7-methyl-4-oxochromen-3-yl]oxy-N-(2,5-dimethylphenyl)acetamide
CID 21001210
6-chloro-3-[(2-fluorophenyl)methoxy]-2-(4-methylphenyl)chromen-4-one
CID 7746679
N-(2-chlorophenyl)-2-(6,8-dichloro-4-oxo-2-phenylchromen-3-yl)oxyacetamide
CID 21001674
2-methoxyethyl 2-(6-chloro-4-oxo-2-phenylchromen-3-yl)oxyacetate
CID 7746637
2-[6-chloro-7-methyl-2-(4-methylphenyl)-4-oxochromen-3-yl]oxy-N-(3-chloro-2-methylphenyl)acetamide
CID 21001051
6-chloro-2-(4-chlorophenyl)-3-[(3-chlorophenyl)methoxy]chromen-4-one
CID 21000417
methyl (E)-4-(6-chloro-4-oxo-2-phenylchromen-3-yl)oxybut-2-enoate
CID 101197009

Frequently Asked Questions

What is the IUPAC name of 2-[6-chloro-2-(4-chlorophenyl)-4-oxochromen-3-yl]oxy-N-(2-fluorophenyl)acetamide?
The IUPAC name of 2-[6-chloro-2-(4-chlorophenyl)-4-oxochromen-3-yl]oxy-N-(2-fluorophenyl)acetamide (CID 21000460) is 2-[6-chloro-2-(4-chlorophenyl)-4-oxochromen-3-yl]oxy-N-(2-fluorophenyl)acetamide.
What is the SMILES notation for 2-[6-chloro-2-(4-chlorophenyl)-4-oxochromen-3-yl]oxy-N-(2-fluorophenyl)acetamide?
The canonical SMILES for 2-[6-chloro-2-(4-chlorophenyl)-4-oxochromen-3-yl]oxy-N-(2-fluorophenyl)acetamide is O=C(COc1c(-c2ccc(Cl)cc2)oc2ccc(Cl)cc2c1=O)Nc1ccccc1F.
What is the InChIKey of 2-[6-chloro-2-(4-chlorophenyl)-4-oxochromen-3-yl]oxy-N-(2-fluorophenyl)acetamide?
The InChIKey is YTRFJWAMMFEJEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14Cl2FNO4/c24-14-7-5-13(6-8-14)22-23(21(29)16-11-15(25)9-10-19(16)31-22)30-12-20(28)27-18-4-2-1-3-17(18)26/h1-11H,12H2,(H,27,28).
What are the key properties of 2-[6-chloro-2-(4-chlorophenyl)-4-oxochromen-3-yl]oxy-N-(2-fluorophenyl)acetamide?
2-[6-chloro-2-(4-chlorophenyl)-4-oxochromen-3-yl]oxy-N-(2-fluorophenyl)acetamide has a molecular weight of 458.27 g/mol, XLogP of 5.92, 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-(2-fluorophenyl)acetamide is sourced from PubChem (CID 21000460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).