N-[1-(trifluoromethyl)cyclopropyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide

C14H15F3N2O — CID 106213401

IUPACN-[1-(trifluoromethyl)cyclopropyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide
SMILESO=C(NC1(C(F)(F)F)CC1)C1NCCc2ccccc21
InChIInChI=1S/C14H15F3N2O/c15-14(16,17)13(6-7-13)19-12(20)11-10-4-2-1-3-9(10)5-8-18-11/h1-4,11,18H,5-8H2,(H,19,20)
InChIKeyVKHIORDTMOYZHC-UHFFFAOYSA-N
MW284.28 g/mol
LogP2.08
Rot. Bonds2

About N-[1-(trifluoromethyl)cyclopropyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide

N-[1-(trifluoromethyl)cyclopropyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide (PubChem CID 106213401) has the molecular formula C14H15F3N2O and a molecular weight of 284.28 g/mol. Its IUPAC name is N-[1-(trifluoromethyl)cyclopropyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide.

Molecular Properties

Compound NameN-[1-(trifluoromethyl)cyclopropyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide
PubChem CID106213401
Molecular FormulaC14H15F3N2O
Molecular Weight284.28 g/mol
Exact Mass284.11
IUPAC NameN-[1-(trifluoromethyl)cyclopropyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide
SMILESO=C(NC1(C(F)(F)F)CC1)C1NCCc2ccccc21
InChIInChI=1S/C14H15F3N2O/c15-14(16,17)13(6-7-13)19-12(20)11-10-4-2-1-3-9(10)5-8-18-11/h1-4,11,18H,5-8H2,(H,19,20)
InChIKeyVKHIORDTMOYZHC-UHFFFAOYSA-N
XLogP2.08
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(trifluoromethyl)cyclopropyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide?
The IUPAC name of N-[1-(trifluoromethyl)cyclopropyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide (CID 106213401) is N-[1-(trifluoromethyl)cyclopropyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide.
What is the SMILES notation for N-[1-(trifluoromethyl)cyclopropyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide?
The canonical SMILES for N-[1-(trifluoromethyl)cyclopropyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide is O=C(NC1(C(F)(F)F)CC1)C1NCCc2ccccc21.
What is the InChIKey of N-[1-(trifluoromethyl)cyclopropyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide?
The InChIKey is VKHIORDTMOYZHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2O/c15-14(16,17)13(6-7-13)19-12(20)11-10-4-2-1-3-9(10)5-8-18-11/h1-4,11,18H,5-8H2,(H,19,20).
What are the key properties of N-[1-(trifluoromethyl)cyclopropyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide?
N-[1-(trifluoromethyl)cyclopropyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide has a molecular weight of 284.28 g/mol, XLogP of 2.08, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(trifluoromethyl)cyclopropyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide is sourced from PubChem (CID 106213401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).