2-[[2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide

C20H13F3N4O4 — CID 26660548

IUPAC2-[[2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
SMILESO=C(Cn1cnc2c(oc3ccccc32)c1=O)NCC(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C20H13F3N4O4/c21-11-5-6-12(17(23)16(11)22)26-14(28)7-24-15(29)8-27-9-25-18-10-3-1-2-4-13(10)31-19(18)20(27)30/h1-6,9H,7-8H2,(H,24,29)(H,26,28)
InChIKeyCQVAGUDVFHTROF-UHFFFAOYSA-N
MW430.34 g/mol
LogP2.31
Rot. Bonds5

About 2-[[2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide

2-[[2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide (PubChem CID 26660548) has the molecular formula C20H13F3N4O4 and a molecular weight of 430.34 g/mol. Its IUPAC name is 2-[[2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide.

Molecular Properties

Compound Name2-[[2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
PubChem CID26660548
Molecular FormulaC20H13F3N4O4
Molecular Weight430.34 g/mol
Exact Mass430.09
IUPAC Name2-[[2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
SMILESO=C(Cn1cnc2c(oc3ccccc32)c1=O)NCC(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C20H13F3N4O4/c21-11-5-6-12(17(23)16(11)22)26-14(28)7-24-15(29)8-27-9-25-18-10-3-1-2-4-13(10)31-19(18)20(27)30/h1-6,9H,7-8H2,(H,24,29)(H,26,28)
InChIKeyCQVAGUDVFHTROF-UHFFFAOYSA-N
XLogP2.31
TPSA106.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.34
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-naphthalen-1-yl-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide
CID 4808260
N-(2-fluoro-5-methylsulfonylphenyl)-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide
CID 55385210
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-(4-iodo-2-methylphenyl)-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide
CID 4808279
N-(5-chloro-2-pyridinyl)-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide
CID 51250651
N-[2-(ethylamino)ethyl]-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide
CID 119507744
2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)-N-[4-(phenylcarbamoylamino)phenyl]acetamide
CID 55527065
N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide
CID 26662916
N-(2-amino-2-ethylbutyl)-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide
CID 119642367
4-chloro-N'-[2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetyl]benzohydrazide
CID 26721007
methyl 6-[[2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetyl]amino]hexanoate
CID 32987169

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide?
The IUPAC name of 2-[[2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide (CID 26660548) is 2-[[2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide.
What is the SMILES notation for 2-[[2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide?
The canonical SMILES for 2-[[2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide is O=C(Cn1cnc2c(oc3ccccc32)c1=O)NCC(=O)Nc1ccc(F)c(F)c1F.
What is the InChIKey of 2-[[2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide?
The InChIKey is CQVAGUDVFHTROF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F3N4O4/c21-11-5-6-12(17(23)16(11)22)26-14(28)7-24-15(29)8-27-9-25-18-10-3-1-2-4-13(10)31-19(18)20(27)30/h1-6,9H,7-8H2,(H,24,29)(H,26,28).
What are the key properties of 2-[[2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide?
2-[[2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide has a molecular weight of 430.34 g/mol, XLogP of 2.31, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide is sourced from PubChem (CID 26660548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).