N-methyl-N-(3,3,3-trifluoropropyl)-2,3-dihydro-1H-isoindole-5-carboxamide

C13H15F3N2O — CID 103999072

IUPACN-methyl-N-(3,3,3-trifluoropropyl)-2,3-dihydro-1H-isoindole-5-carboxamide
SMILESCN(CCC(F)(F)F)C(=O)c1ccc2c(c1)CNC2
InChIInChI=1S/C13H15F3N2O/c1-18(5-4-13(14,15)16)12(19)9-2-3-10-7-17-8-11(10)6-9/h2-3,6,17H,4-5,7-8H2,1H3
InChIKeyNLURDTQNDDMVCB-UHFFFAOYSA-N
MW272.27 g/mol
LogP2.31
Rot. Bonds3

About N-methyl-N-(3,3,3-trifluoropropyl)-2,3-dihydro-1H-isoindole-5-carboxamide

N-methyl-N-(3,3,3-trifluoropropyl)-2,3-dihydro-1H-isoindole-5-carboxamide (PubChem CID 103999072) has the molecular formula C13H15F3N2O and a molecular weight of 272.27 g/mol. Its IUPAC name is N-methyl-N-(3,3,3-trifluoropropyl)-2,3-dihydro-1H-isoindole-5-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(3,3,3-trifluoropropyl)-2,3-dihydro-1H-isoindole-5-carboxamide
PubChem CID103999072
Molecular FormulaC13H15F3N2O
Molecular Weight272.27 g/mol
Exact Mass272.11
IUPAC NameN-methyl-N-(3,3,3-trifluoropropyl)-2,3-dihydro-1H-isoindole-5-carboxamide
SMILESCN(CCC(F)(F)F)C(=O)c1ccc2c(c1)CNC2
InChIInChI=1S/C13H15F3N2O/c1-18(5-4-13(14,15)16)12(19)9-2-3-10-7-17-8-11(10)6-9/h2-3,6,17H,4-5,7-8H2,1H3
InChIKeyNLURDTQNDDMVCB-UHFFFAOYSA-N
XLogP2.31
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.27
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2,3-dihydro-1H-isoindole-5-carbonyl(methyl)amino]acetic acid
CID 112547658
N-(2-cyanoethyl)-N-methyl-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103997858
N-[(4-fluorophenyl)methyl]-N-methyl-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103998007
N-(1H-imidazol-2-ylmethyl)-N-methyl-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103999017
3-fluoro-N,4-dimethyl-N-(3,3,3-trifluoropropyl)benzamide
CID 86833486
N-(1-hydroxy-2-methylpropan-2-yl)-N-methyl-2,3-dihydro-1H-isoindole-5-carboxamide
CID 113475632
4-bromo-3-chloro-N-methyl-N-(3,3,3-trifluoropropyl)benzamide
CID 80976268
N-methyl-N-(2-methylsulfanylethyl)-1,2,3,4-tetrahydroisoquinoline-7-carboxamide
CID 112658883
N-ethyl-N-(2-hydroxy-2-methylpropyl)-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103999143
2-[2,3-dihydro-1H-isoindole-5-carbonyl(ethyl)amino]acetic acid
CID 112547700
N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103998544
N-[2-(dimethylamino)-2-methylpropyl]-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103998673

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(3,3,3-trifluoropropyl)-2,3-dihydro-1H-isoindole-5-carboxamide?
The IUPAC name of N-methyl-N-(3,3,3-trifluoropropyl)-2,3-dihydro-1H-isoindole-5-carboxamide (CID 103999072) is N-methyl-N-(3,3,3-trifluoropropyl)-2,3-dihydro-1H-isoindole-5-carboxamide.
What is the SMILES notation for N-methyl-N-(3,3,3-trifluoropropyl)-2,3-dihydro-1H-isoindole-5-carboxamide?
The canonical SMILES for N-methyl-N-(3,3,3-trifluoropropyl)-2,3-dihydro-1H-isoindole-5-carboxamide is CN(CCC(F)(F)F)C(=O)c1ccc2c(c1)CNC2.
What is the InChIKey of N-methyl-N-(3,3,3-trifluoropropyl)-2,3-dihydro-1H-isoindole-5-carboxamide?
The InChIKey is NLURDTQNDDMVCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O/c1-18(5-4-13(14,15)16)12(19)9-2-3-10-7-17-8-11(10)6-9/h2-3,6,17H,4-5,7-8H2,1H3.
What are the key properties of N-methyl-N-(3,3,3-trifluoropropyl)-2,3-dihydro-1H-isoindole-5-carboxamide?
N-methyl-N-(3,3,3-trifluoropropyl)-2,3-dihydro-1H-isoindole-5-carboxamide has a molecular weight of 272.27 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(3,3,3-trifluoropropyl)-2,3-dihydro-1H-isoindole-5-carboxamide is sourced from PubChem (CID 103999072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).