N,N,7,8-tetramethyl-4-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide

C21H23F3N2O — CID 24901542

IUPACN,N,7,8-tetramethyl-4-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILESCc1ccc2c(c1C)CN(C(=O)N(C)C)CC2c1cccc(C(F)(F)F)c1
InChIInChI=1S/C21H23F3N2O/c1-13-8-9-17-18(14(13)2)11-26(20(27)25(3)4)12-19(17)15-6-5-7-16(10-15)21(22,23)24/h5-10,19H,11-12H2,1-4H3
InChIKeyRJUJNSAEJUXDQW-UHFFFAOYSA-N
MW376.42 g/mol
LogP4.95
Rot. Bonds1

About N,N,7,8-tetramethyl-4-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide

N,N,7,8-tetramethyl-4-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide (PubChem CID 24901542) has the molecular formula C21H23F3N2O and a molecular weight of 376.42 g/mol. Its IUPAC name is N,N,7,8-tetramethyl-4-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide.

Molecular Properties

Compound NameN,N,7,8-tetramethyl-4-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
PubChem CID24901542
Molecular FormulaC21H23F3N2O
Molecular Weight376.42 g/mol
Exact Mass376.18
IUPAC NameN,N,7,8-tetramethyl-4-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILESCc1ccc2c(c1C)CN(C(=O)N(C)C)CC2c1cccc(C(F)(F)F)c1
InChIInChI=1S/C21H23F3N2O/c1-13-8-9-17-18(14(13)2)11-26(20(27)25(3)4)12-19(17)15-6-5-7-16(10-15)21(22,23)24/h5-10,19H,11-12H2,1-4H3
InChIKeyRJUJNSAEJUXDQW-UHFFFAOYSA-N
XLogP4.95
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,N,7,8-tetramethyl-4-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The IUPAC name of N,N,7,8-tetramethyl-4-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide (CID 24901542) is N,N,7,8-tetramethyl-4-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide.
What is the SMILES notation for N,N,7,8-tetramethyl-4-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The canonical SMILES for N,N,7,8-tetramethyl-4-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide is Cc1ccc2c(c1C)CN(C(=O)N(C)C)CC2c1cccc(C(F)(F)F)c1.
What is the InChIKey of N,N,7,8-tetramethyl-4-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The InChIKey is RJUJNSAEJUXDQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F3N2O/c1-13-8-9-17-18(14(13)2)11-26(20(27)25(3)4)12-19(17)15-6-5-7-16(10-15)21(22,23)24/h5-10,19H,11-12H2,1-4H3.
What are the key properties of N,N,7,8-tetramethyl-4-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide?
N,N,7,8-tetramethyl-4-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide has a molecular weight of 376.42 g/mol, XLogP of 4.95, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,7,8-tetramethyl-4-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide is sourced from PubChem (CID 24901542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).