4-(2-oxochromen-3-yl)-N-[2-(trifluoromethyl)phenyl]benzamide

C23H14F3NO3 — CID 4243574

IUPAC4-(2-oxochromen-3-yl)-N-[2-(trifluoromethyl)phenyl]benzamide
SMILESO=C(Nc1ccccc1C(F)(F)F)c1ccc(-c2cc3ccccc3oc2=O)cc1
InChIInChI=1S/C23H14F3NO3/c24-23(25,26)18-6-2-3-7-19(18)27-21(28)15-11-9-14(10-12-15)17-13-16-5-1-4-8-20(16)30-22(17)29/h1-13H,(H,27,28)
InChIKeyXRLIEBVHYJWWJS-UHFFFAOYSA-N
MW409.36 g/mol
LogP5.73
Rot. Bonds3

About 4-(2-oxochromen-3-yl)-N-[2-(trifluoromethyl)phenyl]benzamide

4-(2-oxochromen-3-yl)-N-[2-(trifluoromethyl)phenyl]benzamide (PubChem CID 4243574) has the molecular formula C23H14F3NO3 and a molecular weight of 409.36 g/mol. Its IUPAC name is 4-(2-oxochromen-3-yl)-N-[2-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name4-(2-oxochromen-3-yl)-N-[2-(trifluoromethyl)phenyl]benzamide
PubChem CID4243574
Molecular FormulaC23H14F3NO3
Molecular Weight409.36 g/mol
Exact Mass409.09
IUPAC Name4-(2-oxochromen-3-yl)-N-[2-(trifluoromethyl)phenyl]benzamide
SMILESO=C(Nc1ccccc1C(F)(F)F)c1ccc(-c2cc3ccccc3oc2=O)cc1
InChIInChI=1S/C23H14F3NO3/c24-23(25,26)18-6-2-3-7-19(18)27-21(28)15-11-9-14(10-12-15)17-13-16-5-1-4-8-20(16)30-22(17)29/h1-13H,(H,27,28)
InChIKeyXRLIEBVHYJWWJS-UHFFFAOYSA-N
XLogP5.73
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.36
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

3-(2-oxochromen-3-yl)-N-[2-(trifluoromethyl)phenyl]benzamide
CID 4519459
4-(2-oxochromen-3-yl)-N-(2,4,5-trichlorophenyl)benzamide
CID 4695361
N-(2-methoxyphenyl)-4-(2-oxochromen-3-yl)benzamide
CID 2958481
N-(9,10-dioxoanthracen-1-yl)-4-(2-oxochromen-3-yl)benzamide
CID 3707397
N-(2-chloro-4-iodophenyl)-4-(2-oxochromen-3-yl)benzamide
CID 3978077
4-(2-oxochromen-3-yl)-N-(2,4,6-trimethylphenyl)benzamide
CID 3893067
4-(2-oxochromen-3-yl)benzoate
CID 4249737
3-chloro-N-[4-[[4-(2-oxochromen-3-yl)benzoyl]amino]phenyl]benzamide
CID 3322024
2-chloro-N-[3-[[4-(2-oxochromen-3-yl)benzoyl]amino]phenyl]benzamide
CID 4572798
N-[2-methyl-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-4-(2-oxochromen-3-yl)benzamide
CID 3968758
N-[2-methoxy-4-[[4-(2-oxochromen-3-yl)benzoyl]amino]phenyl]-1-benzofuran-2-carboxamide
CID 2958483
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-(2-oxochromen-3-yl)benzamide
CID 2001935

Frequently Asked Questions

What is the IUPAC name of 4-(2-oxochromen-3-yl)-N-[2-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 4-(2-oxochromen-3-yl)-N-[2-(trifluoromethyl)phenyl]benzamide (CID 4243574) is 4-(2-oxochromen-3-yl)-N-[2-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 4-(2-oxochromen-3-yl)-N-[2-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 4-(2-oxochromen-3-yl)-N-[2-(trifluoromethyl)phenyl]benzamide is O=C(Nc1ccccc1C(F)(F)F)c1ccc(-c2cc3ccccc3oc2=O)cc1.
What is the InChIKey of 4-(2-oxochromen-3-yl)-N-[2-(trifluoromethyl)phenyl]benzamide?
The InChIKey is XRLIEBVHYJWWJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14F3NO3/c24-23(25,26)18-6-2-3-7-19(18)27-21(28)15-11-9-14(10-12-15)17-13-16-5-1-4-8-20(16)30-22(17)29/h1-13H,(H,27,28).
What are the key properties of 4-(2-oxochromen-3-yl)-N-[2-(trifluoromethyl)phenyl]benzamide?
4-(2-oxochromen-3-yl)-N-[2-(trifluoromethyl)phenyl]benzamide has a molecular weight of 409.36 g/mol, XLogP of 5.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-oxochromen-3-yl)-N-[2-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 4243574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).