N-(3-oxo-4H-1,4-benzoxazin-7-yl)-1-[3-(trifluoromethyl)phenyl]indole-2-carboxamide

C24H16F3N3O3 — CID 11690965

IUPACN-(3-oxo-4H-1,4-benzoxazin-7-yl)-1-[3-(trifluoromethyl)phenyl]indole-2-carboxamide
SMILESO=C1COc2cc(NC(=O)c3cc4ccccc4n3-c3cccc(C(F)(F)F)c3)ccc2N1
InChIInChI=1S/C24H16F3N3O3/c25-24(26,27)15-5-3-6-17(11-15)30-19-7-2-1-4-14(19)10-20(30)23(32)28-16-8-9-18-21(12-16)33-13-22(31)29-18/h1-12H,13H2,(H,28,32)(H,29,31)
InChIKeyLMQRATRNERXTJP-UHFFFAOYSA-N
MW451.40 g/mol
LogP5.23
Rot. Bonds3

About N-(3-oxo-4H-1,4-benzoxazin-7-yl)-1-[3-(trifluoromethyl)phenyl]indole-2-carboxamide

N-(3-oxo-4H-1,4-benzoxazin-7-yl)-1-[3-(trifluoromethyl)phenyl]indole-2-carboxamide (PubChem CID 11690965) has the molecular formula C24H16F3N3O3 and a molecular weight of 451.40 g/mol. Its IUPAC name is N-(3-oxo-4H-1,4-benzoxazin-7-yl)-1-[3-(trifluoromethyl)phenyl]indole-2-carboxamide.

Molecular Properties

Compound NameN-(3-oxo-4H-1,4-benzoxazin-7-yl)-1-[3-(trifluoromethyl)phenyl]indole-2-carboxamide
PubChem CID11690965
Molecular FormulaC24H16F3N3O3
Molecular Weight451.40 g/mol
Exact Mass451.11
IUPAC NameN-(3-oxo-4H-1,4-benzoxazin-7-yl)-1-[3-(trifluoromethyl)phenyl]indole-2-carboxamide
SMILESO=C1COc2cc(NC(=O)c3cc4ccccc4n3-c3cccc(C(F)(F)F)c3)ccc2N1
InChIInChI=1S/C24H16F3N3O3/c25-24(26,27)15-5-3-6-17(11-15)30-19-7-2-1-4-14(19)10-20(30)23(32)28-16-8-9-18-21(12-16)33-13-22(31)29-18/h1-12H,13H2,(H,28,32)(H,29,31)
InChIKeyLMQRATRNERXTJP-UHFFFAOYSA-N
XLogP5.23
TPSA72.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.40
LogP ≤ 55.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(3-oxo-4H-1,4-benzoxazin-7-yl)-1-[3-(trifluoromethyl)phenyl]indole-2-carboxamide with MolForge

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Related Compounds

N-(3-oxo-4H-1,4-benzoxazin-7-yl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 78893189
N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 11582496
N-(3-oxo-4H-1,4-benzoxazin-7-yl)-1H-indole-2-carboxamide
CID 59802843
1-cyclopentyl-N-(3-oxo-4H-1,4-benzoxazin-7-yl)pyrrole-2-carboxamide
CID 75448652
N-(3-oxo-4H-1,4-benzoxazin-6-yl)-2-[3-(trifluoromethyl)phenyl]acetamide
CID 51153500
N-(3-oxo-4H-1,4-benzoxazin-7-yl)quinoline-8-carboxamide
CID 59802648
N-(3-oxo-4H-1,4-benzoxazin-7-yl)pyridine-2-carboxamide
CID 56587899
6-oxo-N-(3-oxo-4H-1,4-benzoxazin-7-yl)-1H-pyridine-2-carboxamide
CID 59802793
N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)-1-methylindole-2-carboxamide
CID 47062367
3-hydroxy-N-(3-oxo-4H-1,4-benzoxazin-6-yl)benzamide
CID 145472125
N-(3-oxo-4H-1,4-benzoxazin-7-yl)thiophene-3-carboxamide
CID 59802926
N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1-benzofuran-2-carboxamide
CID 51153472

Frequently Asked Questions

What is the IUPAC name of N-(3-oxo-4H-1,4-benzoxazin-7-yl)-1-[3-(trifluoromethyl)phenyl]indole-2-carboxamide?
The IUPAC name of N-(3-oxo-4H-1,4-benzoxazin-7-yl)-1-[3-(trifluoromethyl)phenyl]indole-2-carboxamide (CID 11690965) is N-(3-oxo-4H-1,4-benzoxazin-7-yl)-1-[3-(trifluoromethyl)phenyl]indole-2-carboxamide.
What is the SMILES notation for N-(3-oxo-4H-1,4-benzoxazin-7-yl)-1-[3-(trifluoromethyl)phenyl]indole-2-carboxamide?
The canonical SMILES for N-(3-oxo-4H-1,4-benzoxazin-7-yl)-1-[3-(trifluoromethyl)phenyl]indole-2-carboxamide is O=C1COc2cc(NC(=O)c3cc4ccccc4n3-c3cccc(C(F)(F)F)c3)ccc2N1.
What is the InChIKey of N-(3-oxo-4H-1,4-benzoxazin-7-yl)-1-[3-(trifluoromethyl)phenyl]indole-2-carboxamide?
The InChIKey is LMQRATRNERXTJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16F3N3O3/c25-24(26,27)15-5-3-6-17(11-15)30-19-7-2-1-4-14(19)10-20(30)23(32)28-16-8-9-18-21(12-16)33-13-22(31)29-18/h1-12H,13H2,(H,28,32)(H,29,31).
What are the key properties of N-(3-oxo-4H-1,4-benzoxazin-7-yl)-1-[3-(trifluoromethyl)phenyl]indole-2-carboxamide?
N-(3-oxo-4H-1,4-benzoxazin-7-yl)-1-[3-(trifluoromethyl)phenyl]indole-2-carboxamide has a molecular weight of 451.40 g/mol, XLogP of 5.23, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-oxo-4H-1,4-benzoxazin-7-yl)-1-[3-(trifluoromethyl)phenyl]indole-2-carboxamide is sourced from PubChem (CID 11690965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).