N-(2-methoxyacetyl)-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)-2-[4-(trifluoromethyl)phenyl]benzamide

C26H23F3N2O3 — CID 150071436

IUPACN-(2-methoxyacetyl)-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)-2-[4-(trifluoromethyl)phenyl]benzamide
SMILESCOCC(=O)N(C(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1)c1ccc2c(c1)CCNC2
InChIInChI=1S/C26H23F3N2O3/c1-34-16-24(32)31(21-11-8-19-15-30-13-12-18(19)14-21)25(33)23-5-3-2-4-22(23)17-6-9-20(10-7-17)26(27,28)29/h2-11,14,30H,12-13,15-16H2,1H3
InChIKeyDPJBIBPBESVIHM-UHFFFAOYSA-N
MW468.48 g/mol
LogP4.84
Rot. Bonds5

About N-(2-methoxyacetyl)-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)-2-[4-(trifluoromethyl)phenyl]benzamide

N-(2-methoxyacetyl)-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)-2-[4-(trifluoromethyl)phenyl]benzamide (PubChem CID 150071436) has the molecular formula C26H23F3N2O3 and a molecular weight of 468.48 g/mol. Its IUPAC name is N-(2-methoxyacetyl)-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)-2-[4-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound NameN-(2-methoxyacetyl)-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)-2-[4-(trifluoromethyl)phenyl]benzamide
PubChem CID150071436
Molecular FormulaC26H23F3N2O3
Molecular Weight468.48 g/mol
Exact Mass468.17
IUPAC NameN-(2-methoxyacetyl)-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)-2-[4-(trifluoromethyl)phenyl]benzamide
SMILESCOCC(=O)N(C(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1)c1ccc2c(c1)CCNC2
InChIInChI=1S/C26H23F3N2O3/c1-34-16-24(32)31(21-11-8-19-15-30-13-12-18(19)14-21)25(33)23-5-3-2-4-22(23)17-6-9-20(10-7-17)26(27,28)29/h2-11,14,30H,12-13,15-16H2,1H3
InChIKeyDPJBIBPBESVIHM-UHFFFAOYSA-N
XLogP4.84
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.48
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2-methoxyacetyl)-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)-2-[4-(trifluoromethyl)phenyl]benzamide with MolForge

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Related Compounds

N-(3-methoxypropyl)-2-[4-(trifluoromethyl)phenyl]benzamide
CID 35513604
1-(1,2,3,4-tetrahydroisoquinolin-6-yl)-3-[4-(trifluoromethyl)phenyl]urea
CID 66935505
N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-2-[4-(trifluoromethyl)phenyl]benzamide
CID 55368523
2-methoxy-N'-phenyl-N-[4-(trifluoromethyl)phenyl]acetohydrazide
CID 22159723
2,2-dimethyl-1-[2-[4-(trifluoromethyl)phenyl]phenyl]propan-1-one
CID 16680132
N-[(2-hydroxyphenyl)methyl]-N-methyl-2-[4-(trifluoromethyl)phenyl]benzamide
CID 51120447
N-[2-[2-(diethylamino)-2-oxoethyl]-3,4-dihydro-1H-isoquinolin-6-yl]-2-[4-(trifluoromethyl)phenyl]benzamide
CID 23296192
4-methoxy-N,N-dimethyl-3-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]benzamide
CID 60537647
N-[2-(6-amino-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]acetamide;2-[4-(trifluoromethyl)phenyl]benzoic acid;hydrochloride
CID 172770669
N-[3-(N-methylanilino)propyl]-2-[4-(trifluoromethyl)phenyl]benzamide
CID 44758028
2-[4-(trifluoromethyl)phenyl]-N-(3,4,5-trimethoxyphenyl)benzamide
CID 29176493
methyl 2-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]quinoline-6-carboxylate
CID 59711001

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyacetyl)-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)-2-[4-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of N-(2-methoxyacetyl)-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)-2-[4-(trifluoromethyl)phenyl]benzamide (CID 150071436) is N-(2-methoxyacetyl)-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)-2-[4-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for N-(2-methoxyacetyl)-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)-2-[4-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for N-(2-methoxyacetyl)-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)-2-[4-(trifluoromethyl)phenyl]benzamide is COCC(=O)N(C(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1)c1ccc2c(c1)CCNC2.
What is the InChIKey of N-(2-methoxyacetyl)-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)-2-[4-(trifluoromethyl)phenyl]benzamide?
The InChIKey is DPJBIBPBESVIHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F3N2O3/c1-34-16-24(32)31(21-11-8-19-15-30-13-12-18(19)14-21)25(33)23-5-3-2-4-22(23)17-6-9-20(10-7-17)26(27,28)29/h2-11,14,30H,12-13,15-16H2,1H3.
What are the key properties of N-(2-methoxyacetyl)-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)-2-[4-(trifluoromethyl)phenyl]benzamide?
N-(2-methoxyacetyl)-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)-2-[4-(trifluoromethyl)phenyl]benzamide has a molecular weight of 468.48 g/mol, XLogP of 4.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyacetyl)-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)-2-[4-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 150071436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).