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

C14H16F3NO2 — CID 106703960

IUPACN-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-2,3-dihydro-1H-indene-2-carboxamide
SMILESO=C(C1Cc2ccccc2C1)N(CCO)CC(F)(F)F
InChIInChI=1S/C14H16F3NO2/c15-14(16,17)9-18(5-6-19)13(20)12-7-10-3-1-2-4-11(10)8-12/h1-4,12,19H,5-9H2
InChIKeyMYDQKIOZSNISCB-UHFFFAOYSA-N
MW287.28 g/mol
LogP1.78
Rot. Bonds4

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

N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-2,3-dihydro-1H-indene-2-carboxamide (PubChem CID 106703960) has the molecular formula C14H16F3NO2 and a molecular weight of 287.28 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-2,3-dihydro-1H-indene-2-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-2,3-dihydro-1H-indene-2-carboxamide
PubChem CID106703960
Molecular FormulaC14H16F3NO2
Molecular Weight287.28 g/mol
Exact Mass287.11
IUPAC NameN-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-2,3-dihydro-1H-indene-2-carboxamide
SMILESO=C(C1Cc2ccccc2C1)N(CCO)CC(F)(F)F
InChIInChI=1S/C14H16F3NO2/c15-14(16,17)9-18(5-6-19)13(20)12-7-10-3-1-2-4-11(10)8-12/h1-4,12,19H,5-9H2
InChIKeyMYDQKIOZSNISCB-UHFFFAOYSA-N
XLogP1.78
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.28
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Methanone, (2-indanyl)(4-morpholyl)-
CID 576078
1-[(3S)-3-Hydroxypyrrolidin-1-YL]-3-(2-methylphenyl)butan-1-one
CID 71922612
1-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]-3-[2-(trifluoromethyl)phenyl]propan-1-one
CID 137637454
1-[(3R,4R)-3,4-dihydroxypyrrolidin-1-yl]-3-[2-(trifluoromethyl)phenyl]propan-1-one
CID 137654274
N-[2-hydroxy-3-(2,2,2-trifluoroethylamino)propyl]-9H-fluorene-9-carboxamide
CID 172470795
9-(2,3-dihydro-1H-inden-1-ylcarbonyl)-2-(2-hydroxyethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72916747
1-(2,3-dihydro-1H-inden-2-ylacetyl)-4-(2-hydroxyethyl)-1,4-diazepan-6-ol
CID 74230633
2-(2,3-dihydro-1H-inden-1-yl)-N-[2-(2-hydroxyethoxy)ethyl]acetamide
CID 70757792
N-butyl-3-(3-fluorophenyl)-N-(2-hydroxyethyl)butanamide
CID 71845846
(3S)-N-butyl-3-(3-fluorophenyl)-N-(2-hydroxyethyl)butanamide
CID 97027588
2,3-dihydro-1H-inden-2-yl-[(2R)-2-(hydroxymethyl)-2-methylpyrrolidin-1-yl]methanone
CID 164642053
N-(2-hydroxyethyl)-N-methyl-2-[3-(trifluoromethyl)phenyl]acetamide
CID 60652590

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-2,3-dihydro-1H-indene-2-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-2,3-dihydro-1H-indene-2-carboxamide (CID 106703960) is N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-2,3-dihydro-1H-indene-2-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-2,3-dihydro-1H-indene-2-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-2,3-dihydro-1H-indene-2-carboxamide is O=C(C1Cc2ccccc2C1)N(CCO)CC(F)(F)F.
What is the InChIKey of N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-2,3-dihydro-1H-indene-2-carboxamide?
The InChIKey is MYDQKIOZSNISCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3NO2/c15-14(16,17)9-18(5-6-19)13(20)12-7-10-3-1-2-4-11(10)8-12/h1-4,12,19H,5-9H2.
What are the key properties of N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-2,3-dihydro-1H-indene-2-carboxamide?
N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-2,3-dihydro-1H-indene-2-carboxamide has a molecular weight of 287.28 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-2,3-dihydro-1H-indene-2-carboxamide is sourced from PubChem (CID 106703960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).