N-(difluoromethoxy)-5-fluoro-1-propan-2-ylindole-3-carboxamide

C13H13F3N2O2 — CID 88593106

IUPACN-(difluoromethoxy)-5-fluoro-1-propan-2-ylindole-3-carboxamide
SMILESCC(C)n1cc(C(=O)NOC(F)F)c2cc(F)ccc21
InChIInChI=1S/C13H13F3N2O2/c1-7(2)18-6-10(12(19)17-20-13(15)16)9-5-8(14)3-4-11(9)18/h3-7,13H,1-2H3,(H,17,19)
InChIKeyVBGOTEWTRGKYQW-UHFFFAOYSA-N
MW286.25 g/mol
LogP3.25
Rot. Bonds4

About N-(difluoromethoxy)-5-fluoro-1-propan-2-ylindole-3-carboxamide

N-(difluoromethoxy)-5-fluoro-1-propan-2-ylindole-3-carboxamide (PubChem CID 88593106) has the molecular formula C13H13F3N2O2 and a molecular weight of 286.25 g/mol. Its IUPAC name is N-(difluoromethoxy)-5-fluoro-1-propan-2-ylindole-3-carboxamide.

Molecular Properties

Compound NameN-(difluoromethoxy)-5-fluoro-1-propan-2-ylindole-3-carboxamide
PubChem CID88593106
Molecular FormulaC13H13F3N2O2
Molecular Weight286.25 g/mol
Exact Mass286.09
IUPAC NameN-(difluoromethoxy)-5-fluoro-1-propan-2-ylindole-3-carboxamide
SMILESCC(C)n1cc(C(=O)NOC(F)F)c2cc(F)ccc21
InChIInChI=1S/C13H13F3N2O2/c1-7(2)18-6-10(12(19)17-20-13(15)16)9-5-8(14)3-4-11(9)18/h3-7,13H,1-2H3,(H,17,19)
InChIKeyVBGOTEWTRGKYQW-UHFFFAOYSA-N
XLogP3.25
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.25
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-amino-2-(5-fluoro-1-propan-2-ylindol-3-yl)acetate
CID 115073241
3-ethyl-5-fluoro-1-propan-2-ylindole
CID 155279245
2-(5-fluoro-1-propan-2-ylindol-3-yl)propan-1-ol
CID 117121050
(Z)-4-(5-fluoro-1-propan-2-ylindol-3-yl)but-2-en-2-amine
CID 145343643
2-(ethylamino)-1-(5-fluoro-1-methylindol-3-yl)propan-1-one
CID 162765604
1-(5-fluoro-1-propan-2-ylindol-3-yl)-2-methylpropan-2-ol
CID 117121037
methyl 1-[1-(6-azido-2-pyridinyl)ethyl]-5-fluoroindole-3-carboxylate
CID 150035735
N-[(1R)-3-amino-3-oxo-1-phenylpropyl]-5-fluoro-1-methylindole-3-carboxamide
CID 154861063
ethyl 2-(5-fluoro-1-methylindol-3-yl)-2-oxoacetate
CID 68526851
1-[1-(2,2-difluoroethyl)-5-fluoroindol-3-yl]ethanone
CID 118447216
5-fluoro-1-propan-2-yl-3-(propan-2-ylsulfanylmethyl)indole
CID 117175718
6-bromo-N-(2-methoxyethyl)-1-propan-2-ylindole-3-carboxamide
CID 172674648

Frequently Asked Questions

What is the IUPAC name of N-(difluoromethoxy)-5-fluoro-1-propan-2-ylindole-3-carboxamide?
The IUPAC name of N-(difluoromethoxy)-5-fluoro-1-propan-2-ylindole-3-carboxamide (CID 88593106) is N-(difluoromethoxy)-5-fluoro-1-propan-2-ylindole-3-carboxamide.
What is the SMILES notation for N-(difluoromethoxy)-5-fluoro-1-propan-2-ylindole-3-carboxamide?
The canonical SMILES for N-(difluoromethoxy)-5-fluoro-1-propan-2-ylindole-3-carboxamide is CC(C)n1cc(C(=O)NOC(F)F)c2cc(F)ccc21.
What is the InChIKey of N-(difluoromethoxy)-5-fluoro-1-propan-2-ylindole-3-carboxamide?
The InChIKey is VBGOTEWTRGKYQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N2O2/c1-7(2)18-6-10(12(19)17-20-13(15)16)9-5-8(14)3-4-11(9)18/h3-7,13H,1-2H3,(H,17,19).
What are the key properties of N-(difluoromethoxy)-5-fluoro-1-propan-2-ylindole-3-carboxamide?
N-(difluoromethoxy)-5-fluoro-1-propan-2-ylindole-3-carboxamide has a molecular weight of 286.25 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(difluoromethoxy)-5-fluoro-1-propan-2-ylindole-3-carboxamide is sourced from PubChem (CID 88593106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).