N-cyclopropyl-2-[4-[2-fluoro-4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroisoquinolin-8-yl]acetamide

C21H20F4N2O — CID 118024378

IUPACN-cyclopropyl-2-[4-[2-fluoro-4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroisoquinolin-8-yl]acetamide
SMILESO=C(CC1CCCc2c(-c3ccc(C(F)(F)F)cc3F)cncc21)NC1CC1
InChIInChI=1S/C21H20F4N2O/c22-19-9-13(21(23,24)25)4-7-16(19)18-11-26-10-17-12(2-1-3-15(17)18)8-20(28)27-14-5-6-14/h4,7,9-12,14H,1-3,5-6,8H2,(H,27,28)
InChIKeyQRVBTFCBWOACIQ-UHFFFAOYSA-N
MW392.40 g/mol
LogP5.00
Rot. Bonds4

About N-cyclopropyl-2-[4-[2-fluoro-4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroisoquinolin-8-yl]acetamide

N-cyclopropyl-2-[4-[2-fluoro-4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroisoquinolin-8-yl]acetamide (PubChem CID 118024378) has the molecular formula C21H20F4N2O and a molecular weight of 392.40 g/mol. Its IUPAC name is N-cyclopropyl-2-[4-[2-fluoro-4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroisoquinolin-8-yl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[4-[2-fluoro-4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroisoquinolin-8-yl]acetamide
PubChem CID118024378
Molecular FormulaC21H20F4N2O
Molecular Weight392.40 g/mol
Exact Mass392.15
IUPAC NameN-cyclopropyl-2-[4-[2-fluoro-4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroisoquinolin-8-yl]acetamide
SMILESO=C(CC1CCCc2c(-c3ccc(C(F)(F)F)cc3F)cncc21)NC1CC1
InChIInChI=1S/C21H20F4N2O/c22-19-9-13(21(23,24)25)4-7-16(19)18-11-26-10-17-12(2-1-3-15(17)18)8-20(28)27-14-5-6-14/h4,7,9-12,14H,1-3,5-6,8H2,(H,27,28)
InChIKeyQRVBTFCBWOACIQ-UHFFFAOYSA-N
XLogP5.00
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.40
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-cyclopropyl-2-[4-[2-fluoro-4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroisoquinolin-8-yl]acetamide with MolForge

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Related Compounds

N-(cyclopropylmethyl)-2-[4-[2-fluoro-4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroisoquinolin-8-yl]acetamide
CID 118024320
2-[(8S)-4-[2-fluoro-4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroisoquinolin-8-yl]-N,N-dimethylacetamide
CID 118024215
2-[4-[2-fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]-N,N-dimethylacetamide
CID 118024387
2-[4-[3-fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]-N-(2-methoxyethyl)acetamide
CID 118024323
1-(2,4-difluorophenyl)sulfonyl-5-[2-fluoro-4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,7-naphthyridine
CID 166001923
N-cyclopropyl-2-[[4-(trifluoromethyl)-2-pyridinyl]amino]acetamide
CID 66329445
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-cyclopropylacetamide
CID 1491758
4-[2-fluoro-4-(trifluoromethyl)phenyl]-5-methyl-6,7-dihydrocyclopenta[c]pyridin-5-ol
CID 118024643
2-[2-cyano-4-(trifluoromethyl)anilino]-N-cyclopropylacetamide
CID 43568515
1-cyclobutyl-3-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]urea
CID 119070514
5-[4-(cyclopropylcarbamoyl)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
CID 117088284
N-cyclopropyl-2-[2-nitro-4-(trifluoromethyl)anilino]acetamide
CID 43397740

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[4-[2-fluoro-4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroisoquinolin-8-yl]acetamide?
The IUPAC name of N-cyclopropyl-2-[4-[2-fluoro-4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroisoquinolin-8-yl]acetamide (CID 118024378) is N-cyclopropyl-2-[4-[2-fluoro-4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroisoquinolin-8-yl]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[4-[2-fluoro-4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroisoquinolin-8-yl]acetamide?
The canonical SMILES for N-cyclopropyl-2-[4-[2-fluoro-4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroisoquinolin-8-yl]acetamide is O=C(CC1CCCc2c(-c3ccc(C(F)(F)F)cc3F)cncc21)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-[4-[2-fluoro-4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroisoquinolin-8-yl]acetamide?
The InChIKey is QRVBTFCBWOACIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F4N2O/c22-19-9-13(21(23,24)25)4-7-16(19)18-11-26-10-17-12(2-1-3-15(17)18)8-20(28)27-14-5-6-14/h4,7,9-12,14H,1-3,5-6,8H2,(H,27,28).
What are the key properties of N-cyclopropyl-2-[4-[2-fluoro-4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroisoquinolin-8-yl]acetamide?
N-cyclopropyl-2-[4-[2-fluoro-4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroisoquinolin-8-yl]acetamide has a molecular weight of 392.40 g/mol, XLogP of 5.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[4-[2-fluoro-4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroisoquinolin-8-yl]acetamide is sourced from PubChem (CID 118024378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).