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N-(2-cyclohexyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-(3,4-difluorophenyl)acetamide

C26H25F2N3O — CID 123895806

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-(2-cyclohexyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-(3,4-difluorophenyl)acetamide
SMILESO=C(Cc1ccc(F)c(F)c1)Nc1nc2c(nc1C1CCCCC1)-c1ccccc1CC2
InChIInChI=1S/C26H25F2N3O/c27-20-12-10-16(14-21(20)28)15-23(32)30-26-24(18-7-2-1-3-8-18)31-25-19-9-5-4-6-17(19)11-13-22(25)29-26/h4-6,9-10,12,14,18H,1-3,7-8,11,13,15H2,(H,29,30,32)
InChIKeySOISDWRZTFGZPZ-UHFFFAOYSA-N
MW433.50 g/mol
LogP5.75
Rot. Bonds4

About N-(2-cyclohexyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-(3,4-difluorophenyl)acetamide

N-(2-cyclohexyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-(3,4-difluorophenyl)acetamide (PubChem CID 123895806) has the molecular formula C26H25F2N3O and a molecular weight of 433.50 g/mol. Its IUPAC name is N-(2-cyclohexyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-(3,4-difluorophenyl)acetamide.

Molecular Properties

Compound NameN-(2-cyclohexyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-(3,4-difluorophenyl)acetamide
PubChem CID123895806
Molecular FormulaC26H25F2N3O
Molecular Weight433.50 g/mol
Exact Mass433.20
IUPAC NameN-(2-cyclohexyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-(3,4-difluorophenyl)acetamide
SMILESO=C(Cc1ccc(F)c(F)c1)Nc1nc2c(nc1C1CCCCC1)-c1ccccc1CC2
InChIInChI=1S/C26H25F2N3O/c27-20-12-10-16(14-21(20)28)15-23(32)30-26-24(18-7-2-1-3-8-18)31-25-19-9-5-4-6-17(19)11-13-22(25)29-26/h4-6,9-10,12,14,18H,1-3,7-8,11,13,15H2,(H,29,30,32)
InChIKeySOISDWRZTFGZPZ-UHFFFAOYSA-N
XLogP5.75
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.50
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-(3,4-difluorophenyl)acetamide?
The IUPAC name of N-(2-cyclohexyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-(3,4-difluorophenyl)acetamide (CID 123895806) is N-(2-cyclohexyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-(3,4-difluorophenyl)acetamide.
What is the SMILES notation for N-(2-cyclohexyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-(3,4-difluorophenyl)acetamide?
The canonical SMILES for N-(2-cyclohexyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-(3,4-difluorophenyl)acetamide is O=C(Cc1ccc(F)c(F)c1)Nc1nc2c(nc1C1CCCCC1)-c1ccccc1CC2.
What is the InChIKey of N-(2-cyclohexyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-(3,4-difluorophenyl)acetamide?
The InChIKey is SOISDWRZTFGZPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F2N3O/c27-20-12-10-16(14-21(20)28)15-23(32)30-26-24(18-7-2-1-3-8-18)31-25-19-9-5-4-6-17(19)11-13-22(25)29-26/h4-6,9-10,12,14,18H,1-3,7-8,11,13,15H2,(H,29,30,32).
What are the key properties of N-(2-cyclohexyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-(3,4-difluorophenyl)acetamide?
N-(2-cyclohexyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-(3,4-difluorophenyl)acetamide has a molecular weight of 433.50 g/mol, XLogP of 5.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-(3,4-difluorophenyl)acetamide is sourced from PubChem (CID 123895806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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