(2R)-N-(2-chlorophenyl)-2-[6,7-dimethyl-2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]butanamide

C21H19ClF3N3O2 — CID 92887510

IUPAC(2R)-N-(2-chlorophenyl)-2-[6,7-dimethyl-2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]butanamide
SMILESCC[C@H](C(=O)Nc1ccccc1Cl)n1c(=O)c(C(F)(F)F)nc2cc(C)c(C)cc21
InChIInChI=1S/C21H19ClF3N3O2/c1-4-16(19(29)27-14-8-6-5-7-13(14)22)28-17-10-12(3)11(2)9-15(17)26-18(20(28)30)21(23,24)25/h5-10,16H,4H2,1-3H3,(H,27,29)/t16-/m1/s1
InChIKeyLNTJLNCHJKCWHD-MRXNPFEDSA-N
MW437.85 g/mol
LogP5.28
Rot. Bonds4

About (2R)-N-(2-chlorophenyl)-2-[6,7-dimethyl-2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]butanamide

(2R)-N-(2-chlorophenyl)-2-[6,7-dimethyl-2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]butanamide (PubChem CID 92887510) has the molecular formula C21H19ClF3N3O2 and a molecular weight of 437.85 g/mol. Its IUPAC name is (2R)-N-(2-chlorophenyl)-2-[6,7-dimethyl-2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]butanamide.

Molecular Properties

Compound Name(2R)-N-(2-chlorophenyl)-2-[6,7-dimethyl-2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]butanamide
PubChem CID92887510
Molecular FormulaC21H19ClF3N3O2
Molecular Weight437.85 g/mol
Exact Mass437.11
IUPAC Name(2R)-N-(2-chlorophenyl)-2-[6,7-dimethyl-2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]butanamide
SMILESCC[C@H](C(=O)Nc1ccccc1Cl)n1c(=O)c(C(F)(F)F)nc2cc(C)c(C)cc21
InChIInChI=1S/C21H19ClF3N3O2/c1-4-16(19(29)27-14-8-6-5-7-13(14)22)28-17-10-12(3)11(2)9-15(17)26-18(20(28)30)21(23,24)25/h5-10,16H,4H2,1-3H3,(H,27,29)/t16-/m1/s1
InChIKeyLNTJLNCHJKCWHD-MRXNPFEDSA-N
XLogP5.28
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.85
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[6,7-dimethyl-2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]-N-(2-methylphenyl)butanamide
CID 92887461
2-[6,7-dimethyl-2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]-N-(4-propan-2-ylphenyl)butanamide
CID 50761207
(2R)-N-(3,4-dimethoxyphenyl)-2-[6,7-dimethyl-2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]butanamide
CID 92887516
(2S)-N-[(2-chlorophenyl)methyl]-2-[6,7-dimethyl-2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]propanamide
CID 92865089
(2S)-N-(5-chloro-2-methylphenyl)-2-[6,7-dimethyl-2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]propanamide
CID 92887481
N-benzyl-2-[6,7-dimethyl-2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]propanamide
CID 46284818
2-[6,7-dimethyl-2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]-N-[(2-methylphenyl)methyl]propanamide
CID 46284874
(2S)-2-[6,7-dimethyl-2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]-N-(3-propan-2-yloxypropyl)propanamide
CID 92865168
(2R)-2-[6,7-dimethyl-2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]-N-(2,3,5,6-tetrafluorophenyl)propanamide
CID 92887484
2-[6,7-dimethyl-2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]-N-(2,3,5,6-tetrafluorophenyl)propanamide
CID 50760727
(2S)-2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[2-(trifluoromethyl)phenyl]butanamide
CID 42270893
(2S)-2-[3-[acetyl(ethyl)amino]-2-oxoquinoxalin-1-yl]-N-(3-chloro-2-methylphenyl)butanamide
CID 95081170

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-chlorophenyl)-2-[6,7-dimethyl-2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]butanamide?
The IUPAC name of (2R)-N-(2-chlorophenyl)-2-[6,7-dimethyl-2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]butanamide (CID 92887510) is (2R)-N-(2-chlorophenyl)-2-[6,7-dimethyl-2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]butanamide.
What is the SMILES notation for (2R)-N-(2-chlorophenyl)-2-[6,7-dimethyl-2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]butanamide?
The canonical SMILES for (2R)-N-(2-chlorophenyl)-2-[6,7-dimethyl-2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]butanamide is CC[C@H](C(=O)Nc1ccccc1Cl)n1c(=O)c(C(F)(F)F)nc2cc(C)c(C)cc21.
What is the InChIKey of (2R)-N-(2-chlorophenyl)-2-[6,7-dimethyl-2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]butanamide?
The InChIKey is LNTJLNCHJKCWHD-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H19ClF3N3O2/c1-4-16(19(29)27-14-8-6-5-7-13(14)22)28-17-10-12(3)11(2)9-15(17)26-18(20(28)30)21(23,24)25/h5-10,16H,4H2,1-3H3,(H,27,29)/t16-/m1/s1.
What are the key properties of (2R)-N-(2-chlorophenyl)-2-[6,7-dimethyl-2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]butanamide?
(2R)-N-(2-chlorophenyl)-2-[6,7-dimethyl-2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]butanamide has a molecular weight of 437.85 g/mol, XLogP of 5.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-chlorophenyl)-2-[6,7-dimethyl-2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]butanamide is sourced from PubChem (CID 92887510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).