2-(3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)-N-[4-(trifluoromethyl)phenyl]acetamide

C17H14F3N3O2 — CID 2838062

IUPAC2-(3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CC1Nc2ccccc2NC1=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H14F3N3O2/c18-17(19,20)10-5-7-11(8-6-10)21-15(24)9-14-16(25)23-13-4-2-1-3-12(13)22-14/h1-8,14,22H,9H2,(H,21,24)(H,23,25)
InChIKeyJJPDCSCFFVOXMN-UHFFFAOYSA-N
MW349.31 g/mol
LogP3.47
Rot. Bonds3

About 2-(3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)-N-[4-(trifluoromethyl)phenyl]acetamide

2-(3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)-N-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 2838062) has the molecular formula C17H14F3N3O2 and a molecular weight of 349.31 g/mol. Its IUPAC name is 2-(3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)-N-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID2838062
Molecular FormulaC17H14F3N3O2
Molecular Weight349.31 g/mol
Exact Mass349.10
IUPAC Name2-(3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CC1Nc2ccccc2NC1=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H14F3N3O2/c18-17(19,20)10-5-7-11(8-6-10)21-15(24)9-14-16(25)23-13-4-2-1-3-12(13)22-14/h1-8,14,22H,9H2,(H,21,24)(H,23,25)
InChIKeyJJPDCSCFFVOXMN-UHFFFAOYSA-N
XLogP3.47
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.31
LogP ≤ 53.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)-N-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)-N-[4-(trifluoromethyl)phenyl]acetamide (CID 2838062) is 2-(3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)-N-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)-N-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)-N-[4-(trifluoromethyl)phenyl]acetamide is O=C(CC1Nc2ccccc2NC1=O)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-(3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)-N-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is JJPDCSCFFVOXMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N3O2/c18-17(19,20)10-5-7-11(8-6-10)21-15(24)9-14-16(25)23-13-4-2-1-3-12(13)22-14/h1-8,14,22H,9H2,(H,21,24)(H,23,25).
What are the key properties of 2-(3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)-N-[4-(trifluoromethyl)phenyl]acetamide?
2-(3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)-N-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 349.31 g/mol, XLogP of 3.47, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)-N-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 2838062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).