2-(6-chloro-4-oxo-2-phenylchromen-3-yl)oxy-N-[2-(trifluoromethyl)phenyl]propanamide

C25H17ClF3NO4 — CID 21000266

IUPAC2-(6-chloro-4-oxo-2-phenylchromen-3-yl)oxy-N-[2-(trifluoromethyl)phenyl]propanamide
SMILESCC(Oc1c(-c2ccccc2)oc2ccc(Cl)cc2c1=O)C(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C25H17ClF3NO4/c1-14(24(32)30-19-10-6-5-9-18(19)25(27,28)29)33-23-21(31)17-13-16(26)11-12-20(17)34-22(23)15-7-3-2-4-8-15/h2-14H,1H3,(H,30,32)
InChIKeyYUIFQKIICNQFQG-UHFFFAOYSA-N
MW487.86 g/mol
LogP6.54
Rot. Bonds5

About 2-(6-chloro-4-oxo-2-phenylchromen-3-yl)oxy-N-[2-(trifluoromethyl)phenyl]propanamide

2-(6-chloro-4-oxo-2-phenylchromen-3-yl)oxy-N-[2-(trifluoromethyl)phenyl]propanamide (PubChem CID 21000266) has the molecular formula C25H17ClF3NO4 and a molecular weight of 487.86 g/mol. Its IUPAC name is 2-(6-chloro-4-oxo-2-phenylchromen-3-yl)oxy-N-[2-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name2-(6-chloro-4-oxo-2-phenylchromen-3-yl)oxy-N-[2-(trifluoromethyl)phenyl]propanamide
PubChem CID21000266
Molecular FormulaC25H17ClF3NO4
Molecular Weight487.86 g/mol
Exact Mass487.08
IUPAC Name2-(6-chloro-4-oxo-2-phenylchromen-3-yl)oxy-N-[2-(trifluoromethyl)phenyl]propanamide
SMILESCC(Oc1c(-c2ccccc2)oc2ccc(Cl)cc2c1=O)C(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C25H17ClF3NO4/c1-14(24(32)30-19-10-6-5-9-18(19)25(27,28)29)33-23-21(31)17-13-16(26)11-12-20(17)34-22(23)15-7-3-2-4-8-15/h2-14H,1H3,(H,30,32)
InChIKeyYUIFQKIICNQFQG-UHFFFAOYSA-N
XLogP6.54
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.86
LogP ≤ 56.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-2-phenyl-3-propan-2-yloxychromen-4-one
CID 7746601
(2S)-2-[6-chloro-2-(4-chlorophenyl)-4-oxochromen-3-yl]oxypropanoic acid
CID 7747088
(2S)-2-(2,4-dichlorophenoxy)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 7720105
2-(6-chloro-4-oxo-2-phenylchromen-3-yl)oxy-N-(2-fluorophenyl)acetamide
CID 21000237
5-chloro-2-[(2S)-1-oxo-1-[2-(trifluoromethyl)anilino]propan-2-yl]oxybenzamide
CID 38262201
2-[6-chloro-2-(4-chlorophenyl)-4-oxochromen-3-yl]oxy-N-(2-fluorophenyl)acetamide
CID 21000460
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[6,8-dichloro-2-(4-methylphenyl)-4-oxochromen-3-yl]oxypropanamide
CID 21001785
2-(3,4-dichlorophenoxy)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 13052546
2-(2,3-dichlorophenoxy)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 46633814
2-(4-chlorophenyl)-3-(1-oxo-1-phenylpropan-2-yl)oxychromen-4-one
CID 3316849
methyl (E)-4-(6-chloro-4-oxo-2-phenylchromen-3-yl)oxybut-2-enoate
CID 101197009
2-[6-chloro-2-(3,4-dimethoxyphenyl)-7-methyl-4-oxochromen-3-yl]oxy-N-(2-chlorophenyl)propanamide
CID 21001457

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-4-oxo-2-phenylchromen-3-yl)oxy-N-[2-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 2-(6-chloro-4-oxo-2-phenylchromen-3-yl)oxy-N-[2-(trifluoromethyl)phenyl]propanamide (CID 21000266) is 2-(6-chloro-4-oxo-2-phenylchromen-3-yl)oxy-N-[2-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 2-(6-chloro-4-oxo-2-phenylchromen-3-yl)oxy-N-[2-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 2-(6-chloro-4-oxo-2-phenylchromen-3-yl)oxy-N-[2-(trifluoromethyl)phenyl]propanamide is CC(Oc1c(-c2ccccc2)oc2ccc(Cl)cc2c1=O)C(=O)Nc1ccccc1C(F)(F)F.
What is the InChIKey of 2-(6-chloro-4-oxo-2-phenylchromen-3-yl)oxy-N-[2-(trifluoromethyl)phenyl]propanamide?
The InChIKey is YUIFQKIICNQFQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17ClF3NO4/c1-14(24(32)30-19-10-6-5-9-18(19)25(27,28)29)33-23-21(31)17-13-16(26)11-12-20(17)34-22(23)15-7-3-2-4-8-15/h2-14H,1H3,(H,30,32).
What are the key properties of 2-(6-chloro-4-oxo-2-phenylchromen-3-yl)oxy-N-[2-(trifluoromethyl)phenyl]propanamide?
2-(6-chloro-4-oxo-2-phenylchromen-3-yl)oxy-N-[2-(trifluoromethyl)phenyl]propanamide has a molecular weight of 487.86 g/mol, XLogP of 6.54, 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-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 21000266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).