N-[3-(quinoxaline-6-carbonyl)phenyl]-2,5-bis(trifluoromethyl)benzamide

C24H13F6N3O2 — CID 129303111

IUPACN-[3-(quinoxaline-6-carbonyl)phenyl]-2,5-bis(trifluoromethyl)benzamide
SMILESO=C(c1cccc(NC(=O)c2cc(C(F)(F)F)ccc2C(F)(F)F)c1)c1ccc2nccnc2c1
InChIInChI=1S/C24H13F6N3O2/c25-23(26,27)15-5-6-18(24(28,29)30)17(12-15)22(35)33-16-3-1-2-13(10-16)21(34)14-4-7-19-20(11-14)32-9-8-31-19/h1-12H,(H,33,35)
InChIKeyXUHXRYWNKUECIT-UHFFFAOYSA-N
MW489.38 g/mol
LogP6.15
Rot. Bonds4

About N-[3-(quinoxaline-6-carbonyl)phenyl]-2,5-bis(trifluoromethyl)benzamide

N-[3-(quinoxaline-6-carbonyl)phenyl]-2,5-bis(trifluoromethyl)benzamide (PubChem CID 129303111) has the molecular formula C24H13F6N3O2 and a molecular weight of 489.38 g/mol. Its IUPAC name is N-[3-(quinoxaline-6-carbonyl)phenyl]-2,5-bis(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[3-(quinoxaline-6-carbonyl)phenyl]-2,5-bis(trifluoromethyl)benzamide
PubChem CID129303111
Molecular FormulaC24H13F6N3O2
Molecular Weight489.38 g/mol
Exact Mass489.09
IUPAC NameN-[3-(quinoxaline-6-carbonyl)phenyl]-2,5-bis(trifluoromethyl)benzamide
SMILESO=C(c1cccc(NC(=O)c2cc(C(F)(F)F)ccc2C(F)(F)F)c1)c1ccc2nccnc2c1
InChIInChI=1S/C24H13F6N3O2/c25-23(26,27)15-5-6-18(24(28,29)30)17(12-15)22(35)33-16-3-1-2-13(10-16)21(34)14-4-7-19-20(11-14)32-9-8-31-19/h1-12H,(H,33,35)
InChIKeyXUHXRYWNKUECIT-UHFFFAOYSA-N
XLogP6.15
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.38
LogP ≤ 56.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[3-(quinoxaline-6-carbonyl)phenyl]-5-(trifluoromethyl)benzamide
CID 71533154
3-chloro-N-[4-(quinoxaline-6-carbonyl)phenyl]-4-(trifluoromethyl)benzamide
CID 75203737
1-[3-fluoro-5-(quinoxaline-6-carbonyl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 89443138
2-(trifluoromethyl)-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]benzamide
CID 87570856
4-chloro-N-[3-fluoro-5-(quinoxaline-6-carbonyl)phenyl]-3-(trifluoromethyl)benzamide
CID 89443152
N-[3-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]-2,5-bis(trifluoromethyl)benzamide
CID 59679979
N-(3-acetylphenyl)-4-(trifluoromethyl)benzamide
CID 7770720
N-(3,5-dibromo-4-hydroxyphenyl)-2,5-bis(trifluoromethyl)benzamide
CID 25222881
3-[[4-(trifluoromethyl)benzoyl]amino]benzoyl chloride
CID 23150017
4-fluoro-N-[4-fluoro-3-(quinoxaline-6-carbonyl)phenyl]benzamide
CID 89443461
3-[(4-bromobenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 54791205
3-[(4-acetamidobenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 46513546

Frequently Asked Questions

What is the IUPAC name of N-[3-(quinoxaline-6-carbonyl)phenyl]-2,5-bis(trifluoromethyl)benzamide?
The IUPAC name of N-[3-(quinoxaline-6-carbonyl)phenyl]-2,5-bis(trifluoromethyl)benzamide (CID 129303111) is N-[3-(quinoxaline-6-carbonyl)phenyl]-2,5-bis(trifluoromethyl)benzamide.
What is the SMILES notation for N-[3-(quinoxaline-6-carbonyl)phenyl]-2,5-bis(trifluoromethyl)benzamide?
The canonical SMILES for N-[3-(quinoxaline-6-carbonyl)phenyl]-2,5-bis(trifluoromethyl)benzamide is O=C(c1cccc(NC(=O)c2cc(C(F)(F)F)ccc2C(F)(F)F)c1)c1ccc2nccnc2c1.
What is the InChIKey of N-[3-(quinoxaline-6-carbonyl)phenyl]-2,5-bis(trifluoromethyl)benzamide?
The InChIKey is XUHXRYWNKUECIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H13F6N3O2/c25-23(26,27)15-5-6-18(24(28,29)30)17(12-15)22(35)33-16-3-1-2-13(10-16)21(34)14-4-7-19-20(11-14)32-9-8-31-19/h1-12H,(H,33,35).
What are the key properties of N-[3-(quinoxaline-6-carbonyl)phenyl]-2,5-bis(trifluoromethyl)benzamide?
N-[3-(quinoxaline-6-carbonyl)phenyl]-2,5-bis(trifluoromethyl)benzamide has a molecular weight of 489.38 g/mol, XLogP of 6.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(quinoxaline-6-carbonyl)phenyl]-2,5-bis(trifluoromethyl)benzamide is sourced from PubChem (CID 129303111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).