N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)-2,3-dihydro-1H-indene-5-carboxamide

C17H20F3NO — CID 42915108

IUPACN-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)-2,3-dihydro-1H-indene-5-carboxamide
SMILESCC(C1CC1)N(CC(F)(F)F)C(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C17H20F3NO/c1-11(12-5-6-12)21(10-17(18,19)20)16(22)15-8-7-13-3-2-4-14(13)9-15/h7-9,11-12H,2-6,10H2,1H3
InChIKeySCSKIYCGPGSWEI-UHFFFAOYSA-N
MW311.35 g/mol
LogP3.98
Rot. Bonds4

About N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)-2,3-dihydro-1H-indene-5-carboxamide

N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)-2,3-dihydro-1H-indene-5-carboxamide (PubChem CID 42915108) has the molecular formula C17H20F3NO and a molecular weight of 311.35 g/mol. Its IUPAC name is N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)-2,3-dihydro-1H-indene-5-carboxamide.

Molecular Properties

Compound NameN-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)-2,3-dihydro-1H-indene-5-carboxamide
PubChem CID42915108
Molecular FormulaC17H20F3NO
Molecular Weight311.35 g/mol
Exact Mass311.15
IUPAC NameN-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)-2,3-dihydro-1H-indene-5-carboxamide
SMILESCC(C1CC1)N(CC(F)(F)F)C(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C17H20F3NO/c1-11(12-5-6-12)21(10-17(18,19)20)16(22)15-8-7-13-3-2-4-14(13)9-15/h7-9,11-12H,2-6,10H2,1H3
InChIKeySCSKIYCGPGSWEI-UHFFFAOYSA-N
XLogP3.98
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)-2,3-dihydro-1H-indene-5-carboxamide?
The IUPAC name of N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)-2,3-dihydro-1H-indene-5-carboxamide (CID 42915108) is N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)-2,3-dihydro-1H-indene-5-carboxamide.
What is the SMILES notation for N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)-2,3-dihydro-1H-indene-5-carboxamide?
The canonical SMILES for N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)-2,3-dihydro-1H-indene-5-carboxamide is CC(C1CC1)N(CC(F)(F)F)C(=O)c1ccc2c(c1)CCC2.
What is the InChIKey of N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)-2,3-dihydro-1H-indene-5-carboxamide?
The InChIKey is SCSKIYCGPGSWEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3NO/c1-11(12-5-6-12)21(10-17(18,19)20)16(22)15-8-7-13-3-2-4-14(13)9-15/h7-9,11-12H,2-6,10H2,1H3.
What are the key properties of N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)-2,3-dihydro-1H-indene-5-carboxamide?
N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)-2,3-dihydro-1H-indene-5-carboxamide has a molecular weight of 311.35 g/mol, XLogP of 3.98, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)-2,3-dihydro-1H-indene-5-carboxamide is sourced from PubChem (CID 42915108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).