2-(6-chloro-4-oxo-2-phenylchromen-3-yl)oxy-N-(2-fluorophenyl)acetamide

C23H15ClFNO4 — CID 21000237

IUPAC2-(6-chloro-4-oxo-2-phenylchromen-3-yl)oxy-N-(2-fluorophenyl)acetamide
SMILESO=C(COc1c(-c2ccccc2)oc2ccc(Cl)cc2c1=O)Nc1ccccc1F
InChIInChI=1S/C23H15ClFNO4/c24-15-10-11-19-16(12-15)21(28)23(22(30-19)14-6-2-1-3-7-14)29-13-20(27)26-18-9-5-4-8-17(18)25/h1-12H,13H2,(H,26,27)
InChIKeyMMGAPXCMPGSEFG-UHFFFAOYSA-N
MW423.83 g/mol
LogP5.27
Rot. Bonds5

About 2-(6-chloro-4-oxo-2-phenylchromen-3-yl)oxy-N-(2-fluorophenyl)acetamide

2-(6-chloro-4-oxo-2-phenylchromen-3-yl)oxy-N-(2-fluorophenyl)acetamide (PubChem CID 21000237) has the molecular formula C23H15ClFNO4 and a molecular weight of 423.83 g/mol. Its IUPAC name is 2-(6-chloro-4-oxo-2-phenylchromen-3-yl)oxy-N-(2-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(6-chloro-4-oxo-2-phenylchromen-3-yl)oxy-N-(2-fluorophenyl)acetamide
PubChem CID21000237
Molecular FormulaC23H15ClFNO4
Molecular Weight423.83 g/mol
Exact Mass423.07
IUPAC Name2-(6-chloro-4-oxo-2-phenylchromen-3-yl)oxy-N-(2-fluorophenyl)acetamide
SMILESO=C(COc1c(-c2ccccc2)oc2ccc(Cl)cc2c1=O)Nc1ccccc1F
InChIInChI=1S/C23H15ClFNO4/c24-15-10-11-19-16(12-15)21(28)23(22(30-19)14-6-2-1-3-7-14)29-13-20(27)26-18-9-5-4-8-17(18)25/h1-12H,13H2,(H,26,27)
InChIKeyMMGAPXCMPGSEFG-UHFFFAOYSA-N
XLogP5.27
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.83
LogP ≤ 55.27
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-(2-fluorophenyl)acetamide
CID 21000460
2-[2-(4-chlorophenyl)-6,7-dimethyl-4-oxochromen-3-yl]oxy-N-(2-fluorophenyl)acetamide
CID 20999729
N-(2-chlorophenyl)-2-(6,8-dichloro-4-oxo-2-phenylchromen-3-yl)oxyacetamide
CID 21001674
2-[6-chloro-2-(4-chlorophenyl)-4-oxochromen-3-yl]oxy-N-(3-methylphenyl)acetamide
CID 21000454
2-methoxyethyl 2-(6-chloro-4-oxo-2-phenylchromen-3-yl)oxyacetate
CID 7746637
2-[6-chloro-2-(4-chlorophenyl)-4-oxochromen-3-yl]oxy-N-(4-methoxyphenyl)acetamide
CID 21000470
methyl (E)-4-(6-chloro-4-oxo-2-phenylchromen-3-yl)oxybut-2-enoate
CID 101197009
2-(6-chloro-7-methyl-4-oxo-2-phenylchromen-3-yl)oxy-N-(4-fluorophenyl)acetamide
CID 21000983
2-(6-chloro-4-oxo-2-phenylchromen-3-yl)oxy-N-[2-(trifluoromethyl)phenyl]propanamide
CID 21000266
6-chloro-3-[(2,4-dichlorophenyl)methoxy]-2-phenylchromen-4-one
CID 21000206
5-[(6-chloro-4-oxo-2-phenylchromen-3-yl)oxymethyl]-N-hydroxythiophene-2-carboxamide
CID 175508448
6-chloro-3-[(2-fluorophenyl)methoxy]-2-(4-methylphenyl)chromen-4-one
CID 7746679

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-4-oxo-2-phenylchromen-3-yl)oxy-N-(2-fluorophenyl)acetamide?
The IUPAC name of 2-(6-chloro-4-oxo-2-phenylchromen-3-yl)oxy-N-(2-fluorophenyl)acetamide (CID 21000237) is 2-(6-chloro-4-oxo-2-phenylchromen-3-yl)oxy-N-(2-fluorophenyl)acetamide.
What is the SMILES notation for 2-(6-chloro-4-oxo-2-phenylchromen-3-yl)oxy-N-(2-fluorophenyl)acetamide?
The canonical SMILES for 2-(6-chloro-4-oxo-2-phenylchromen-3-yl)oxy-N-(2-fluorophenyl)acetamide is O=C(COc1c(-c2ccccc2)oc2ccc(Cl)cc2c1=O)Nc1ccccc1F.
What is the InChIKey of 2-(6-chloro-4-oxo-2-phenylchromen-3-yl)oxy-N-(2-fluorophenyl)acetamide?
The InChIKey is MMGAPXCMPGSEFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15ClFNO4/c24-15-10-11-19-16(12-15)21(28)23(22(30-19)14-6-2-1-3-7-14)29-13-20(27)26-18-9-5-4-8-17(18)25/h1-12H,13H2,(H,26,27).
What are the key properties of 2-(6-chloro-4-oxo-2-phenylchromen-3-yl)oxy-N-(2-fluorophenyl)acetamide?
2-(6-chloro-4-oxo-2-phenylchromen-3-yl)oxy-N-(2-fluorophenyl)acetamide has a molecular weight of 423.83 g/mol, XLogP of 5.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-4-oxo-2-phenylchromen-3-yl)oxy-N-(2-fluorophenyl)acetamide is sourced from PubChem (CID 21000237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).