N-(5-amino-2,3-dihydro-1H-inden-1-yl)-3,3,3-trifluoropropanamide

C12H13F3N2O — CID 79740816

IUPACN-(5-amino-2,3-dihydro-1H-inden-1-yl)-3,3,3-trifluoropropanamide
SMILESNc1ccc2c(c1)CCC2NC(=O)CC(F)(F)F
InChIInChI=1S/C12H13F3N2O/c13-12(14,15)6-11(18)17-10-4-1-7-5-8(16)2-3-9(7)10/h2-3,5,10H,1,4,6,16H2,(H,17,18)
InChIKeyLHJOPNUCXWUPSV-UHFFFAOYSA-N
MW258.24 g/mol
LogP2.32
Rot. Bonds2

About N-(5-amino-2,3-dihydro-1H-inden-1-yl)-3,3,3-trifluoropropanamide

N-(5-amino-2,3-dihydro-1H-inden-1-yl)-3,3,3-trifluoropropanamide (PubChem CID 79740816) has the molecular formula C12H13F3N2O and a molecular weight of 258.24 g/mol. Its IUPAC name is N-(5-amino-2,3-dihydro-1H-inden-1-yl)-3,3,3-trifluoropropanamide.

Molecular Properties

Compound NameN-(5-amino-2,3-dihydro-1H-inden-1-yl)-3,3,3-trifluoropropanamide
PubChem CID79740816
Molecular FormulaC12H13F3N2O
Molecular Weight258.24 g/mol
Exact Mass258.10
IUPAC NameN-(5-amino-2,3-dihydro-1H-inden-1-yl)-3,3,3-trifluoropropanamide
SMILESNc1ccc2c(c1)CCC2NC(=O)CC(F)(F)F
InChIInChI=1S/C12H13F3N2O/c13-12(14,15)6-11(18)17-10-4-1-7-5-8(16)2-3-9(7)10/h2-3,5,10H,1,4,6,16H2,(H,17,18)
InChIKeyLHJOPNUCXWUPSV-UHFFFAOYSA-N
XLogP2.32
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.24
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(5-amino-2,3-dihydro-1H-inden-1-yl)-2-propan-2-yloxyacetamide
CID 112603522
2-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]acetamide
CID 79735729
N-(5-amino-2,3-dihydro-1H-inden-1-yl)-4-hydroxybenzamide
CID 79741651
N-(5-amino-2,3-dihydro-1H-inden-1-yl)-4-bromobenzamide
CID 79740821
N-(5-amino-2,3-dihydro-1H-inden-1-yl)-3-chloro-2-fluorobenzamide
CID 81266310
N-(5-amino-2,3-dihydro-1H-inden-1-yl)-2-hydroxy-3-methylbenzamide
CID 79723212
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(dimethylamino)propanamide
CID 116649806
N-(5-amino-2,3-dihydro-1H-inden-1-yl)thiadiazole-4-carboxamide
CID 79741093
N-(5-amino-2,3-dihydro-1H-inden-1-yl)furan-2-carboxamide
CID 79741002
N-(5-amino-2,3-dihydro-1H-inden-1-yl)-4-bromo-1-methylpyrrole-2-carboxamide
CID 79741368
N-(5-amino-2,3-dihydro-1H-inden-1-yl)-3-ethylthiophene-2-carboxamide
CID 79741558
2-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]propane-1,3-diol
CID 79740783

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2,3-dihydro-1H-inden-1-yl)-3,3,3-trifluoropropanamide?
The IUPAC name of N-(5-amino-2,3-dihydro-1H-inden-1-yl)-3,3,3-trifluoropropanamide (CID 79740816) is N-(5-amino-2,3-dihydro-1H-inden-1-yl)-3,3,3-trifluoropropanamide.
What is the SMILES notation for N-(5-amino-2,3-dihydro-1H-inden-1-yl)-3,3,3-trifluoropropanamide?
The canonical SMILES for N-(5-amino-2,3-dihydro-1H-inden-1-yl)-3,3,3-trifluoropropanamide is Nc1ccc2c(c1)CCC2NC(=O)CC(F)(F)F.
What is the InChIKey of N-(5-amino-2,3-dihydro-1H-inden-1-yl)-3,3,3-trifluoropropanamide?
The InChIKey is LHJOPNUCXWUPSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2O/c13-12(14,15)6-11(18)17-10-4-1-7-5-8(16)2-3-9(7)10/h2-3,5,10H,1,4,6,16H2,(H,17,18).
What are the key properties of N-(5-amino-2,3-dihydro-1H-inden-1-yl)-3,3,3-trifluoropropanamide?
N-(5-amino-2,3-dihydro-1H-inden-1-yl)-3,3,3-trifluoropropanamide has a molecular weight of 258.24 g/mol, XLogP of 2.32, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2,3-dihydro-1H-inden-1-yl)-3,3,3-trifluoropropanamide is sourced from PubChem (CID 79740816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).