N-methyl-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]acetamide

C22H17F3N4O4 — CID 26783345

IUPACN-methyl-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]acetamide
SMILESCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)Cn1cnc2c(oc3ccccc32)c1=O
InChIInChI=1S/C22H17F3N4O4/c1-28(10-17(30)27-15-8-4-3-7-14(15)22(23,24)25)18(31)11-29-12-26-19-13-6-2-5-9-16(13)33-20(19)21(29)32/h2-9,12H,10-11H2,1H3,(H,27,30)
InChIKeyDUCQFOGZCOWOQM-UHFFFAOYSA-N
MW458.40 g/mol
LogP3.26
Rot. Bonds5

About N-methyl-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]acetamide

N-methyl-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]acetamide (PubChem CID 26783345) has the molecular formula C22H17F3N4O4 and a molecular weight of 458.40 g/mol. Its IUPAC name is N-methyl-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]acetamide.

Molecular Properties

Compound NameN-methyl-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]acetamide
PubChem CID26783345
Molecular FormulaC22H17F3N4O4
Molecular Weight458.40 g/mol
Exact Mass458.12
IUPAC NameN-methyl-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]acetamide
SMILESCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)Cn1cnc2c(oc3ccccc32)c1=O
InChIInChI=1S/C22H17F3N4O4/c1-28(10-17(30)27-15-8-4-3-7-14(15)22(23,24)25)18(31)11-29-12-26-19-13-6-2-5-9-16(13)33-20(19)21(29)32/h2-9,12H,10-11H2,1H3,(H,27,30)
InChIKeyDUCQFOGZCOWOQM-UHFFFAOYSA-N
XLogP3.26
TPSA97.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.40
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]acetamide
CID 30759853
N-naphthalen-1-yl-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide
CID 4808260
N-(2-bromophenyl)-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide
CID 7802170
N-(2-chlorophenyl)-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide
CID 7802162
N-[(2,4-difluorophenyl)methyl]-N-methyl-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide
CID 38227244
2-[[2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 26660548
N-(2-amino-2-ethylbutyl)-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide
CID 119642367
N-(4-iodo-2-methylphenyl)-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide
CID 4808279
N-methyl-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)-N-piperidin-4-ylacetamide;hydrochloride
CID 119443323
N-[2-(ethylamino)ethyl]-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide
CID 119507744
N-(2-hydroxy-2,3-dimethylbutyl)-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide
CID 111486425
N-(2-fluoro-5-methylsulfonylphenyl)-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide
CID 55385210

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]acetamide?
The IUPAC name of N-methyl-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]acetamide (CID 26783345) is N-methyl-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]acetamide.
What is the SMILES notation for N-methyl-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]acetamide?
The canonical SMILES for N-methyl-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]acetamide is CN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)Cn1cnc2c(oc3ccccc32)c1=O.
What is the InChIKey of N-methyl-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]acetamide?
The InChIKey is DUCQFOGZCOWOQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F3N4O4/c1-28(10-17(30)27-15-8-4-3-7-14(15)22(23,24)25)18(31)11-29-12-26-19-13-6-2-5-9-16(13)33-20(19)21(29)32/h2-9,12H,10-11H2,1H3,(H,27,30).
What are the key properties of N-methyl-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]acetamide?
N-methyl-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]acetamide has a molecular weight of 458.40 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]acetamide is sourced from PubChem (CID 26783345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).