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

C17H14F4N2O — CID 3822630

IUPACN-[2-fluoro-3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1F)N1CCc2ccccc2C1
InChIInChI=1S/C17H14F4N2O/c18-15-13(17(19,20)21)6-3-7-14(15)22-16(24)23-9-8-11-4-1-2-5-12(11)10-23/h1-7H,8-10H2,(H,22,24)
InChIKeyYBJPAZMUSSSKGS-UHFFFAOYSA-N
MW338.30 g/mol
LogP4.43
Rot. Bonds1

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

N-[2-fluoro-3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide (PubChem CID 3822630) has the molecular formula C17H14F4N2O and a molecular weight of 338.30 g/mol. Its IUPAC name is N-[2-fluoro-3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide.

Molecular Properties

Compound NameN-[2-fluoro-3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
PubChem CID3822630
Molecular FormulaC17H14F4N2O
Molecular Weight338.30 g/mol
Exact Mass338.10
IUPAC NameN-[2-fluoro-3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1F)N1CCc2ccccc2C1
InChIInChI=1S/C17H14F4N2O/c18-15-13(17(19,20)21)6-3-7-14(15)22-16(24)23-9-8-11-4-1-2-5-12(11)10-23/h1-7H,8-10H2,(H,22,24)
InChIKeyYBJPAZMUSSSKGS-UHFFFAOYSA-N
XLogP4.43
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.30
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-tert-butyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 2942390
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 2989364
N-(2-ethoxyphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 6469538
N-[2-(morpholine-4-carbonyl)phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 71895877
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2,2,2-trifluoroethanone
CID 615216
N-[2-(4-fluorophenyl)propan-2-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 113216117
3-oxo-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 60765025
2-piperidin-1-yl-N-[2-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 46329752
N-(4-chlorophenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 846926
N-(3,5-dihydroxyphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 108895492
3,4-dihydro-1H-isoquinolin-2-yl-[5-[2-(trifluoromethyl)anilino]-3-pyridinyl]methanone
CID 109236090
5-methyl-N-[2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxamide
CID 42695045

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The IUPAC name of N-[2-fluoro-3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide (CID 3822630) is N-[2-fluoro-3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide.
What is the SMILES notation for N-[2-fluoro-3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The canonical SMILES for N-[2-fluoro-3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide is O=C(Nc1cccc(C(F)(F)F)c1F)N1CCc2ccccc2C1.
What is the InChIKey of N-[2-fluoro-3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The InChIKey is YBJPAZMUSSSKGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F4N2O/c18-15-13(17(19,20)21)6-3-7-14(15)22-16(24)23-9-8-11-4-1-2-5-12(11)10-23/h1-7H,8-10H2,(H,22,24).
What are the key properties of N-[2-fluoro-3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide?
N-[2-fluoro-3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide has a molecular weight of 338.30 g/mol, XLogP of 4.43, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide is sourced from PubChem (CID 3822630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).