N-[3,5-bis(trifluoromethyl)phenyl]-3-oxo-4H-quinoxaline-2-carboxamide

C17H9F6N3O2 — CID 10476149

IUPACN-[3,5-bis(trifluoromethyl)phenyl]-3-oxo-4H-quinoxaline-2-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1nc2ccccc2[nH]c1=O
InChIInChI=1S/C17H9F6N3O2/c18-16(19,20)8-5-9(17(21,22)23)7-10(6-8)24-14(27)13-15(28)26-12-4-2-1-3-11(12)25-13/h1-7H,(H,24,27)(H,26,28)
InChIKeyNDEXPJLQFBWVIP-UHFFFAOYSA-N
MW401.27 g/mol
LogP4.21
Rot. Bonds2

About N-[3,5-bis(trifluoromethyl)phenyl]-3-oxo-4H-quinoxaline-2-carboxamide

N-[3,5-bis(trifluoromethyl)phenyl]-3-oxo-4H-quinoxaline-2-carboxamide (PubChem CID 10476149) has the molecular formula C17H9F6N3O2 and a molecular weight of 401.27 g/mol. Its IUPAC name is N-[3,5-bis(trifluoromethyl)phenyl]-3-oxo-4H-quinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-[3,5-bis(trifluoromethyl)phenyl]-3-oxo-4H-quinoxaline-2-carboxamide
PubChem CID10476149
Molecular FormulaC17H9F6N3O2
Molecular Weight401.27 g/mol
Exact Mass401.06
IUPAC NameN-[3,5-bis(trifluoromethyl)phenyl]-3-oxo-4H-quinoxaline-2-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1nc2ccccc2[nH]c1=O
InChIInChI=1S/C17H9F6N3O2/c18-16(19,20)8-5-9(17(21,22)23)7-10(6-8)24-14(27)13-15(28)26-12-4-2-1-3-11(12)25-13/h1-7H,(H,24,27)(H,26,28)
InChIKeyNDEXPJLQFBWVIP-UHFFFAOYSA-N
XLogP4.21
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.27
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-3-oxo-4H-quinoxaline-2-carboxamide?
The IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-3-oxo-4H-quinoxaline-2-carboxamide (CID 10476149) is N-[3,5-bis(trifluoromethyl)phenyl]-3-oxo-4H-quinoxaline-2-carboxamide.
What is the SMILES notation for N-[3,5-bis(trifluoromethyl)phenyl]-3-oxo-4H-quinoxaline-2-carboxamide?
The canonical SMILES for N-[3,5-bis(trifluoromethyl)phenyl]-3-oxo-4H-quinoxaline-2-carboxamide is O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1nc2ccccc2[nH]c1=O.
What is the InChIKey of N-[3,5-bis(trifluoromethyl)phenyl]-3-oxo-4H-quinoxaline-2-carboxamide?
The InChIKey is NDEXPJLQFBWVIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9F6N3O2/c18-16(19,20)8-5-9(17(21,22)23)7-10(6-8)24-14(27)13-15(28)26-12-4-2-1-3-11(12)25-13/h1-7H,(H,24,27)(H,26,28).
What are the key properties of N-[3,5-bis(trifluoromethyl)phenyl]-3-oxo-4H-quinoxaline-2-carboxamide?
N-[3,5-bis(trifluoromethyl)phenyl]-3-oxo-4H-quinoxaline-2-carboxamide has a molecular weight of 401.27 g/mol, XLogP of 4.21, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-bis(trifluoromethyl)phenyl]-3-oxo-4H-quinoxaline-2-carboxamide is sourced from PubChem (CID 10476149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).