2,2,2-trifluoro-N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]acetamide

C18H12F3NO4 — CID 108754281

IUPAC2,2,2-trifluoro-N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]acetamide
SMILESCOc1ccc2oc(-c3ccc(NC(=O)C(F)(F)F)cc3)cc(=O)c2c1
InChIInChI=1S/C18H12F3NO4/c1-25-12-6-7-15-13(8-12)14(23)9-16(26-15)10-2-4-11(5-3-10)22-17(24)18(19,20)21/h2-9H,1H3,(H,22,24)
InChIKeyQXNFMCOCLUINAD-UHFFFAOYSA-N
MW363.29 g/mol
LogP3.97
Rot. Bonds3

About 2,2,2-trifluoro-N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]acetamide

2,2,2-trifluoro-N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]acetamide (PubChem CID 108754281) has the molecular formula C18H12F3NO4 and a molecular weight of 363.29 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]acetamide
PubChem CID108754281
Molecular FormulaC18H12F3NO4
Molecular Weight363.29 g/mol
Exact Mass363.07
IUPAC Name2,2,2-trifluoro-N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]acetamide
SMILESCOc1ccc2oc(-c3ccc(NC(=O)C(F)(F)F)cc3)cc(=O)c2c1
InChIInChI=1S/C18H12F3NO4/c1-25-12-6-7-15-13(8-12)14(23)9-16(26-15)10-2-4-11(5-3-10)22-17(24)18(19,20)21/h2-9H,1H3,(H,22,24)
InChIKeyQXNFMCOCLUINAD-UHFFFAOYSA-N
XLogP3.97
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.29
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,3,4-trifluoro-N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]benzamide
CID 108730692
N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]-2-(4-methylphenoxy)acetamide
CID 108730754
N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]-4-(4-methoxyphenyl)-4-oxobutanamide
CID 108730745
4-methoxy-N-[2-(4-methoxyphenyl)-4-oxochromen-6-yl]benzamide
CID 18568776
N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]-3-(4-methylphenoxy)propanamide
CID 108811249
2-(3,5-dimethylphenoxy)-N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]acetamide
CID 108730753
2-(4-tert-butylphenyl)-6-methoxychromen-4-one
CID 776400
(E)-3-(furan-2-yl)-N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]prop-2-enamide
CID 108730677
N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]-3-phenoxybenzamide
CID 108730638
2-(1,3-dioxoisoindol-2-yl)-N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]propanamide
CID 108754317
4-hexoxy-N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]benzamide
CID 108754323
2-(4-fluorophenyl)-N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 108810423

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]acetamide (CID 108754281) is 2,2,2-trifluoro-N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]acetamide is COc1ccc2oc(-c3ccc(NC(=O)C(F)(F)F)cc3)cc(=O)c2c1.
What is the InChIKey of 2,2,2-trifluoro-N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]acetamide?
The InChIKey is QXNFMCOCLUINAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F3NO4/c1-25-12-6-7-15-13(8-12)14(23)9-16(26-15)10-2-4-11(5-3-10)22-17(24)18(19,20)21/h2-9H,1H3,(H,22,24).
What are the key properties of 2,2,2-trifluoro-N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]acetamide?
2,2,2-trifluoro-N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]acetamide has a molecular weight of 363.29 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]acetamide is sourced from PubChem (CID 108754281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).