2-chloro-N-(5,6-difluoro-1H-indol-3-yl)-4-(2,2,2-trifluoroethoxy)benzamide

C17H10ClF5N2O2 — CID 162445135

IUPAC2-chloro-N-(5,6-difluoro-1H-indol-3-yl)-4-(2,2,2-trifluoroethoxy)benzamide
SMILESO=C(Nc1c[nH]c2cc(F)c(F)cc12)c1ccc(OCC(F)(F)F)cc1Cl
InChIInChI=1S/C17H10ClF5N2O2/c18-11-3-8(27-7-17(21,22)23)1-2-9(11)16(26)25-15-6-24-14-5-13(20)12(19)4-10(14)15/h1-6,24H,7H2,(H,25,26)
InChIKeyZPYJMNGWCVMFLW-UHFFFAOYSA-N
MW404.72 g/mol
LogP5.29
Rot. Bonds4

About 2-chloro-N-(5,6-difluoro-1H-indol-3-yl)-4-(2,2,2-trifluoroethoxy)benzamide

2-chloro-N-(5,6-difluoro-1H-indol-3-yl)-4-(2,2,2-trifluoroethoxy)benzamide (PubChem CID 162445135) has the molecular formula C17H10ClF5N2O2 and a molecular weight of 404.72 g/mol. Its IUPAC name is 2-chloro-N-(5,6-difluoro-1H-indol-3-yl)-4-(2,2,2-trifluoroethoxy)benzamide.

Molecular Properties

Compound Name2-chloro-N-(5,6-difluoro-1H-indol-3-yl)-4-(2,2,2-trifluoroethoxy)benzamide
PubChem CID162445135
Molecular FormulaC17H10ClF5N2O2
Molecular Weight404.72 g/mol
Exact Mass404.04
IUPAC Name2-chloro-N-(5,6-difluoro-1H-indol-3-yl)-4-(2,2,2-trifluoroethoxy)benzamide
SMILESO=C(Nc1c[nH]c2cc(F)c(F)cc12)c1ccc(OCC(F)(F)F)cc1Cl
InChIInChI=1S/C17H10ClF5N2O2/c18-11-3-8(27-7-17(21,22)23)1-2-9(11)16(26)25-15-6-24-14-5-13(20)12(19)4-10(14)15/h1-6,24H,7H2,(H,25,26)
InChIKeyZPYJMNGWCVMFLW-UHFFFAOYSA-N
XLogP5.29
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.72
LogP ≤ 55.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5,6-difluoro-1H-indol-3-yl)-2-(trifluoromethyl)benzamide
CID 154652721
N-(5,6-difluoro-1H-indol-3-yl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 154652690
4-cyclohexyloxy-N-(5,6-difluoro-1H-indol-3-yl)benzamide
CID 162444906
N-(5,6-difluoro-1H-indol-3-yl)-1-methyl-5-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-3-carboxamide
CID 162444728
2-chloro-4-(2-phenylethoxy)-N-[2-(trifluoromethyl)phenyl]benzamide
CID 155451593
N-(5,6-difluoro-1H-indol-3-yl)-4-(2-hydroxypropan-2-yl)benzamide
CID 154652693
N-(5,6-difluoro-1H-indol-3-yl)-5-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]-4H-1,2,4-triazole-3-carboxamide
CID 162444742
6-butoxy-N-(5,6-difluoro-1H-indol-3-yl)pyridine-3-carboxamide
CID 170068393
N-(5,6-difluoro-1H-indol-3-yl)-5-fluoro-6-[6-(2,2,2-trifluoroethoxy)-2-azaspiro[3.3]heptan-2-yl]pyridine-3-carboxamide
CID 162444921
N-(5,6-difluoro-1H-indol-3-yl)-2-(1-hydroxypropyl)pyridine-4-carboxamide
CID 162445208
N-(5,6-difluoro-1H-indol-3-yl)-1-(2-pyridin-3-yloxyethyl)pyrazole-3-carboxamide
CID 162444765
2,4-dichloro-N-(2,2,2-trifluoroethoxy)benzamide
CID 81340977

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(5,6-difluoro-1H-indol-3-yl)-4-(2,2,2-trifluoroethoxy)benzamide?
The IUPAC name of 2-chloro-N-(5,6-difluoro-1H-indol-3-yl)-4-(2,2,2-trifluoroethoxy)benzamide (CID 162445135) is 2-chloro-N-(5,6-difluoro-1H-indol-3-yl)-4-(2,2,2-trifluoroethoxy)benzamide.
What is the SMILES notation for 2-chloro-N-(5,6-difluoro-1H-indol-3-yl)-4-(2,2,2-trifluoroethoxy)benzamide?
The canonical SMILES for 2-chloro-N-(5,6-difluoro-1H-indol-3-yl)-4-(2,2,2-trifluoroethoxy)benzamide is O=C(Nc1c[nH]c2cc(F)c(F)cc12)c1ccc(OCC(F)(F)F)cc1Cl.
What is the InChIKey of 2-chloro-N-(5,6-difluoro-1H-indol-3-yl)-4-(2,2,2-trifluoroethoxy)benzamide?
The InChIKey is ZPYJMNGWCVMFLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10ClF5N2O2/c18-11-3-8(27-7-17(21,22)23)1-2-9(11)16(26)25-15-6-24-14-5-13(20)12(19)4-10(14)15/h1-6,24H,7H2,(H,25,26).
What are the key properties of 2-chloro-N-(5,6-difluoro-1H-indol-3-yl)-4-(2,2,2-trifluoroethoxy)benzamide?
2-chloro-N-(5,6-difluoro-1H-indol-3-yl)-4-(2,2,2-trifluoroethoxy)benzamide has a molecular weight of 404.72 g/mol, XLogP of 5.29, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(5,6-difluoro-1H-indol-3-yl)-4-(2,2,2-trifluoroethoxy)benzamide is sourced from PubChem (CID 162445135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).