2,3-dioxo-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]-1,4-dihydroquinoxaline-6-carboxamide

C23H15F3N4O4 — CID 23474550

IUPAC2,3-dioxo-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]-1,4-dihydroquinoxaline-6-carboxamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)c1cccc(NC(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)c1
InChIInChI=1S/C23H15F3N4O4/c24-23(25,26)14-4-2-6-16(11-14)28-19(31)12-3-1-5-15(9-12)27-20(32)13-7-8-17-18(10-13)30-22(34)21(33)29-17/h1-11H,(H,27,32)(H,28,31)(H,29,33)(H,30,34)
InChIKeyNJHOGEHATNCVHE-UHFFFAOYSA-N
MW468.39 g/mol
LogP3.74
Rot. Bonds4

About 2,3-dioxo-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]-1,4-dihydroquinoxaline-6-carboxamide

2,3-dioxo-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]-1,4-dihydroquinoxaline-6-carboxamide (PubChem CID 23474550) has the molecular formula C23H15F3N4O4 and a molecular weight of 468.39 g/mol. Its IUPAC name is 2,3-dioxo-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]-1,4-dihydroquinoxaline-6-carboxamide.

Molecular Properties

Compound Name2,3-dioxo-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]-1,4-dihydroquinoxaline-6-carboxamide
PubChem CID23474550
Molecular FormulaC23H15F3N4O4
Molecular Weight468.39 g/mol
Exact Mass468.10
IUPAC Name2,3-dioxo-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]-1,4-dihydroquinoxaline-6-carboxamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)c1cccc(NC(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)c1
InChIInChI=1S/C23H15F3N4O4/c24-23(25,26)14-4-2-6-16(11-14)28-19(31)12-3-1-5-15(9-12)27-20(32)13-7-8-17-18(10-13)30-22(34)21(33)29-17/h1-11H,(H,27,32)(H,28,31)(H,29,33)(H,30,34)
InChIKeyNJHOGEHATNCVHE-UHFFFAOYSA-N
XLogP3.74
TPSA123.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.39
LogP ≤ 53.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(trifluoromethyl)phenyl]-3-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide
CID 2359720
3-acetamido-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide
CID 46513424
3-[(4-bromobenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 54791205
3-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzene-1,3-dicarboxamide
CID 46577065
3-[(4-acetamidobenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 46513546
4-sulfanyl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 107020049
2,6-difluoro-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide
CID 26289494
3-oxo-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]-4H-1,4-benzothiazine-6-carboxamide
CID 26289464
2-chloro-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide
CID 3609395
4-bromo-N-[3-(trifluoromethyl)phenyl]benzamide
CID 788568
N-[3-[[(4-chlorobenzoyl)amino]carbamoyl]phenyl]-3-(trifluoromethyl)benzamide
CID 126224742
2-methyl-6-oxo-N-[3-(trifluoromethyl)phenyl]-1H-pyridine-4-carboxamide
CID 110698735

Frequently Asked Questions

What is the IUPAC name of 2,3-dioxo-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]-1,4-dihydroquinoxaline-6-carboxamide?
The IUPAC name of 2,3-dioxo-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]-1,4-dihydroquinoxaline-6-carboxamide (CID 23474550) is 2,3-dioxo-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]-1,4-dihydroquinoxaline-6-carboxamide.
What is the SMILES notation for 2,3-dioxo-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]-1,4-dihydroquinoxaline-6-carboxamide?
The canonical SMILES for 2,3-dioxo-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]-1,4-dihydroquinoxaline-6-carboxamide is O=C(Nc1cccc(C(F)(F)F)c1)c1cccc(NC(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)c1.
What is the InChIKey of 2,3-dioxo-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]-1,4-dihydroquinoxaline-6-carboxamide?
The InChIKey is NJHOGEHATNCVHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15F3N4O4/c24-23(25,26)14-4-2-6-16(11-14)28-19(31)12-3-1-5-15(9-12)27-20(32)13-7-8-17-18(10-13)30-22(34)21(33)29-17/h1-11H,(H,27,32)(H,28,31)(H,29,33)(H,30,34).
What are the key properties of 2,3-dioxo-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]-1,4-dihydroquinoxaline-6-carboxamide?
2,3-dioxo-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]-1,4-dihydroquinoxaline-6-carboxamide has a molecular weight of 468.39 g/mol, XLogP of 3.74, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dioxo-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]-1,4-dihydroquinoxaline-6-carboxamide is sourced from PubChem (CID 23474550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).