N-(2,2-difluoroethyl)-2,3-dihydro-1H-indole-3-carboxamide

C11H12F2N2O — CID 115406896

IUPACN-(2,2-difluoroethyl)-2,3-dihydro-1H-indole-3-carboxamide
SMILESO=C(NCC(F)F)C1CNc2ccccc21
InChIInChI=1S/C11H12F2N2O/c12-10(13)6-15-11(16)8-5-14-9-4-2-1-3-7(8)9/h1-4,8,10,14H,5-6H2,(H,15,16)
InChIKeyXYQHWXRCXCWPAU-UHFFFAOYSA-N
MW226.23 g/mol
LogP1.58
Rot. Bonds3

About N-(2,2-difluoroethyl)-2,3-dihydro-1H-indole-3-carboxamide

N-(2,2-difluoroethyl)-2,3-dihydro-1H-indole-3-carboxamide (PubChem CID 115406896) has the molecular formula C11H12F2N2O and a molecular weight of 226.23 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-2,3-dihydro-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-2,3-dihydro-1H-indole-3-carboxamide
PubChem CID115406896
Molecular FormulaC11H12F2N2O
Molecular Weight226.23 g/mol
Exact Mass226.09
IUPAC NameN-(2,2-difluoroethyl)-2,3-dihydro-1H-indole-3-carboxamide
SMILESO=C(NCC(F)F)C1CNc2ccccc21
InChIInChI=1S/C11H12F2N2O/c12-10(13)6-15-11(16)8-5-14-9-4-2-1-3-7(8)9/h1-4,8,10,14H,5-6H2,(H,15,16)
InChIKeyXYQHWXRCXCWPAU-UHFFFAOYSA-N
XLogP1.58
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2,3-dihydro-1H-indole-3-carbonylamino)-3-methylbutanoic acid
CID 81072234
N-(1,3-dihydroxypropan-2-yl)-2,3-dihydro-1H-indole-3-carboxamide
CID 80567229
N-(cyclohexylmethyl)-2,3-dihydro-1H-indole-3-carboxamide
CID 80566002
N-[(2-methylcyclopropyl)methyl]-2,3-dihydro-1H-indole-3-carboxamide
CID 113463842
4-(2,3-dihydro-1H-indole-3-carbonylamino)butanoic acid
CID 80565766
N-(pyridin-4-ylmethyl)-2,3-dihydro-1H-indole-3-carboxamide
CID 80566085
4-(2,3-dihydro-1H-indole-3-carbonylamino)-2-methylbutanoic acid
CID 80567354
N-[(3-hydroxycyclopentyl)methyl]-2,3-dihydro-1H-indole-3-carboxamide
CID 106134248
N-hexyl-2,3-dihydro-1H-indole-3-carboxamide
CID 80565289
N-but-3-yn-2-yl-2,3-dihydro-1H-indole-3-carboxamide
CID 114417212
N-[2-(4-hydroxyphenyl)ethyl]-2,3-dihydro-1H-indole-3-carboxamide
CID 80563456
N-[1-(4-fluorophenyl)ethyl]-2,3-dihydro-1H-indole-3-carboxamide
CID 80563608

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-2,3-dihydro-1H-indole-3-carboxamide?
The IUPAC name of N-(2,2-difluoroethyl)-2,3-dihydro-1H-indole-3-carboxamide (CID 115406896) is N-(2,2-difluoroethyl)-2,3-dihydro-1H-indole-3-carboxamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-2,3-dihydro-1H-indole-3-carboxamide?
The canonical SMILES for N-(2,2-difluoroethyl)-2,3-dihydro-1H-indole-3-carboxamide is O=C(NCC(F)F)C1CNc2ccccc21.
What is the InChIKey of N-(2,2-difluoroethyl)-2,3-dihydro-1H-indole-3-carboxamide?
The InChIKey is XYQHWXRCXCWPAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2N2O/c12-10(13)6-15-11(16)8-5-14-9-4-2-1-3-7(8)9/h1-4,8,10,14H,5-6H2,(H,15,16).
What are the key properties of N-(2,2-difluoroethyl)-2,3-dihydro-1H-indole-3-carboxamide?
N-(2,2-difluoroethyl)-2,3-dihydro-1H-indole-3-carboxamide has a molecular weight of 226.23 g/mol, XLogP of 1.58, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-2,3-dihydro-1H-indole-3-carboxamide is sourced from PubChem (CID 115406896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).