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

C17H13ClF3N3O2 — CID 2913587

IUPACN-[4-chloro-3-(trifluoromethyl)phenyl]-2-(3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetamide
SMILESO=C(CC1Nc2ccccc2NC1=O)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C17H13ClF3N3O2/c18-11-6-5-9(7-10(11)17(19,20)21)22-15(25)8-14-16(26)24-13-4-2-1-3-12(13)23-14/h1-7,14,23H,8H2,(H,22,25)(H,24,26)
InChIKeyHXOITESDJANECE-UHFFFAOYSA-N
MW383.76 g/mol
LogP4.12
Rot. Bonds3

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

N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetamide (PubChem CID 2913587) has the molecular formula C17H13ClF3N3O2 and a molecular weight of 383.76 g/mol. Its IUPAC name is N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetamide.

Molecular Properties

Compound NameN-[4-chloro-3-(trifluoromethyl)phenyl]-2-(3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetamide
PubChem CID2913587
Molecular FormulaC17H13ClF3N3O2
Molecular Weight383.76 g/mol
Exact Mass383.06
IUPAC NameN-[4-chloro-3-(trifluoromethyl)phenyl]-2-(3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetamide
SMILESO=C(CC1Nc2ccccc2NC1=O)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C17H13ClF3N3O2/c18-11-6-5-9(7-10(11)17(19,20)21)22-15(25)8-14-16(26)24-13-4-2-1-3-12(13)23-14/h1-7,14,23H,8H2,(H,22,25)(H,24,26)
InChIKeyHXOITESDJANECE-UHFFFAOYSA-N
XLogP4.12
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.76
LogP ≤ 54.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetamide?
The IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetamide (CID 2913587) is N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetamide.
What is the SMILES notation for N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetamide?
The canonical SMILES for N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetamide is O=C(CC1Nc2ccccc2NC1=O)Nc1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetamide?
The InChIKey is HXOITESDJANECE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClF3N3O2/c18-11-6-5-9(7-10(11)17(19,20)21)22-15(25)8-14-16(26)24-13-4-2-1-3-12(13)23-14/h1-7,14,23H,8H2,(H,22,25)(H,24,26).
What are the key properties of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetamide?
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetamide has a molecular weight of 383.76 g/mol, XLogP of 4.12, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetamide is sourced from PubChem (CID 2913587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).