N-(4-methoxyphenyl)-N-[(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5(13),6,8-tetraen-3-yl)methyl]-4-(trifluoromethyl)benzamide

C28H23F3N2O3 — CID 5060161

IUPACN-(4-methoxyphenyl)-N-[(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5(13),6,8-tetraen-3-yl)methyl]-4-(trifluoromethyl)benzamide
SMILESCOc1ccc(N(Cc2cc3cccc4c3n(c2=O)CCC4)C(=O)c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C28H23F3N2O3/c1-36-24-13-11-23(12-14-24)33(26(34)19-7-9-22(10-8-19)28(29,30)31)17-21-16-20-5-2-4-18-6-3-15-32(25(18)20)27(21)35/h2,4-5,7-14,16H,3,6,15,17H2,1H3
InChIKeyQLFBFANZDOWJGR-UHFFFAOYSA-N
MW492.50 g/mol
LogP5.82
Rot. Bonds5

About N-(4-methoxyphenyl)-N-[(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5(13),6,8-tetraen-3-yl)methyl]-4-(trifluoromethyl)benzamide

N-(4-methoxyphenyl)-N-[(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5(13),6,8-tetraen-3-yl)methyl]-4-(trifluoromethyl)benzamide (PubChem CID 5060161) has the molecular formula C28H23F3N2O3 and a molecular weight of 492.50 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-N-[(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5(13),6,8-tetraen-3-yl)methyl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-N-[(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5(13),6,8-tetraen-3-yl)methyl]-4-(trifluoromethyl)benzamide
PubChem CID5060161
Molecular FormulaC28H23F3N2O3
Molecular Weight492.50 g/mol
Exact Mass492.17
IUPAC NameN-(4-methoxyphenyl)-N-[(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5(13),6,8-tetraen-3-yl)methyl]-4-(trifluoromethyl)benzamide
SMILESCOc1ccc(N(Cc2cc3cccc4c3n(c2=O)CCC4)C(=O)c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C28H23F3N2O3/c1-36-24-13-11-23(12-14-24)33(26(34)19-7-9-22(10-8-19)28(29,30)31)17-21-16-20-5-2-4-18-6-3-15-32(25(18)20)27(21)35/h2,4-5,7-14,16H,3,6,15,17H2,1H3
InChIKeyQLFBFANZDOWJGR-UHFFFAOYSA-N
XLogP5.82
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.50
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-(4-methoxyphenyl)-N-[(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5(13),6,8-tetraen-3-yl)methyl]-4-(trifluoromethyl)benzamide with MolForge

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Related Compounds

N-(4-methoxyphenyl)-N-[2-(methylamino)ethyl]-4-(trifluoromethyl)benzamide
CID 101430804
N-benzyl-N-(4-methoxyphenyl)-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 134012078
N-[[2-fluoro-4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]-N-(4-methoxyphenyl)piperidine-1-carboxamide
CID 158288790
1-N,3-N-dibenzyl-1-N,3-N-bis(4-methoxyphenyl)benzene-1,3-dicarboxamide
CID 10144171
N-benzyl-4-fluoro-N-(4-methoxyphenyl)benzamide
CID 3724237
4-methoxy-N-(3-methoxyphenyl)-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 1422005
3-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5(13),6,8-tetraen-3-yl)prop-2-enoic acid
CID 2736144
N-(4-fluorophenyl)-4-methoxy-N-[2-[[3-(trifluoromethyl)phenyl]carbamoylamino]ethyl]benzamide
CID 42724470
N-(4-methoxyphenyl)-3-nitro-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 1312261
N-[[(1R,2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]methyl]-3-methoxy-N-[3-(trifluoromethyl)phenyl]benzamide
CID 98320334
4-chloro-N-(4-methoxyphenyl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 1384915
(4-methoxyphenyl) 4-(trifluoromethyl)benzoate
CID 532480

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-N-[(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5(13),6,8-tetraen-3-yl)methyl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-(4-methoxyphenyl)-N-[(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5(13),6,8-tetraen-3-yl)methyl]-4-(trifluoromethyl)benzamide (CID 5060161) is N-(4-methoxyphenyl)-N-[(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5(13),6,8-tetraen-3-yl)methyl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(4-methoxyphenyl)-N-[(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5(13),6,8-tetraen-3-yl)methyl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-(4-methoxyphenyl)-N-[(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5(13),6,8-tetraen-3-yl)methyl]-4-(trifluoromethyl)benzamide is COc1ccc(N(Cc2cc3cccc4c3n(c2=O)CCC4)C(=O)c2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-N-[(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5(13),6,8-tetraen-3-yl)methyl]-4-(trifluoromethyl)benzamide?
The InChIKey is QLFBFANZDOWJGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23F3N2O3/c1-36-24-13-11-23(12-14-24)33(26(34)19-7-9-22(10-8-19)28(29,30)31)17-21-16-20-5-2-4-18-6-3-15-32(25(18)20)27(21)35/h2,4-5,7-14,16H,3,6,15,17H2,1H3.
What are the key properties of N-(4-methoxyphenyl)-N-[(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5(13),6,8-tetraen-3-yl)methyl]-4-(trifluoromethyl)benzamide?
N-(4-methoxyphenyl)-N-[(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5(13),6,8-tetraen-3-yl)methyl]-4-(trifluoromethyl)benzamide has a molecular weight of 492.50 g/mol, XLogP of 5.82, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-N-[(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5(13),6,8-tetraen-3-yl)methyl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 5060161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).