N-(5,6-difluoro-1H-indol-3-yl)-N'-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]oxamide

C19H14F5N3O2 — CID 167322945

IUPACN-(5,6-difluoro-1H-indol-3-yl)-N'-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]oxamide
SMILESC[C@H](NC(=O)C(=O)Nc1c[nH]c2cc(F)c(F)cc12)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H14F5N3O2/c1-9(10-2-4-11(5-3-10)19(22,23)24)26-17(28)18(29)27-16-8-25-15-7-14(21)13(20)6-12(15)16/h2-9,25H,1H3,(H,26,28)(H,27,29)/t9-/m0/s1
InChIKeyIHRCRQHMLIBTCW-VIFPVBQESA-N
MW411.33 g/mol
LogP4.28
Rot. Bonds3

About N-(5,6-difluoro-1H-indol-3-yl)-N'-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]oxamide

N-(5,6-difluoro-1H-indol-3-yl)-N'-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]oxamide (PubChem CID 167322945) has the molecular formula C19H14F5N3O2 and a molecular weight of 411.33 g/mol. Its IUPAC name is N-(5,6-difluoro-1H-indol-3-yl)-N'-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]oxamide.

Molecular Properties

Compound NameN-(5,6-difluoro-1H-indol-3-yl)-N'-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]oxamide
PubChem CID167322945
Molecular FormulaC19H14F5N3O2
Molecular Weight411.33 g/mol
Exact Mass411.10
IUPAC NameN-(5,6-difluoro-1H-indol-3-yl)-N'-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]oxamide
SMILESC[C@H](NC(=O)C(=O)Nc1c[nH]c2cc(F)c(F)cc12)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H14F5N3O2/c1-9(10-2-4-11(5-3-10)19(22,23)24)26-17(28)18(29)27-16-8-25-15-7-14(21)13(20)6-12(15)16/h2-9,25H,1H3,(H,26,28)(H,27,29)/t9-/m0/s1
InChIKeyIHRCRQHMLIBTCW-VIFPVBQESA-N
XLogP4.28
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.33
LogP ≤ 54.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(5,6-difluoro-1H-indol-3-yl)-1-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]pyrazole-4-carboxamide
CID 162444806
N-(5,6-difluoro-1H-indol-3-yl)-4-(2-hydroxypropan-2-yl)benzamide
CID 154652693
N-(5,6-difluoro-1H-indol-3-yl)-2-(trifluoromethyl)benzamide
CID 154652721
N-(5,6-difluoro-1H-indol-3-yl)-1-methyl-5-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-3-carboxamide
CID 162444728
N-(5,6-difluoro-1H-indol-3-yl)-5-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]-4H-1,2,4-triazole-3-carboxamide
CID 162444742
N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1H-indol-3-yl]acetamide
CID 167468240
N-cyclobutyl-N'-(5,6-difluoro-1H-indol-3-yl)oxamide
CID 156720645
6-oxo-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-1H-pyrimidine-4-carboxamide
CID 136950368
N-[5-[2-hydroxy-3-[4-(trifluoromethyl)phenyl]propyl]-1H-indol-3-yl]acetamide
CID 167467546
N-[3,5-bis(trifluoromethyl)phenyl]-N'-[1-(4-ethylphenyl)ethyl]oxamide
CID 108511055
N-(5,6-difluoro-1H-indol-3-yl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 154652690
N-methyl-N'-[5-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]-1H-indol-3-yl]oxamide
CID 164573407

Frequently Asked Questions

What is the IUPAC name of N-(5,6-difluoro-1H-indol-3-yl)-N'-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]oxamide?
The IUPAC name of N-(5,6-difluoro-1H-indol-3-yl)-N'-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]oxamide (CID 167322945) is N-(5,6-difluoro-1H-indol-3-yl)-N'-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]oxamide.
What is the SMILES notation for N-(5,6-difluoro-1H-indol-3-yl)-N'-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]oxamide?
The canonical SMILES for N-(5,6-difluoro-1H-indol-3-yl)-N'-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]oxamide is C[C@H](NC(=O)C(=O)Nc1c[nH]c2cc(F)c(F)cc12)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-(5,6-difluoro-1H-indol-3-yl)-N'-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]oxamide?
The InChIKey is IHRCRQHMLIBTCW-VIFPVBQESA-N. The full InChI is InChI=1S/C19H14F5N3O2/c1-9(10-2-4-11(5-3-10)19(22,23)24)26-17(28)18(29)27-16-8-25-15-7-14(21)13(20)6-12(15)16/h2-9,25H,1H3,(H,26,28)(H,27,29)/t9-/m0/s1.
What are the key properties of N-(5,6-difluoro-1H-indol-3-yl)-N'-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]oxamide?
N-(5,6-difluoro-1H-indol-3-yl)-N'-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]oxamide has a molecular weight of 411.33 g/mol, XLogP of 4.28, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-difluoro-1H-indol-3-yl)-N'-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]oxamide is sourced from PubChem (CID 167322945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).