N-[[4-(cyclohex-3-en-1-ylmethoxy)phenyl]methyl]-N-(pyridin-4-ylmethyl)-2-(trifluoromethyl)benzamide

C28H27F3N2O2 — CID 45192491

IUPACN-[[4-(cyclohex-3-en-1-ylmethoxy)phenyl]methyl]-N-(pyridin-4-ylmethyl)-2-(trifluoromethyl)benzamide
SMILESO=C(c1ccccc1C(F)(F)F)N(Cc1ccncc1)Cc1ccc(OCC2CC=CCC2)cc1
InChIInChI=1S/C28H27F3N2O2/c29-28(30,31)26-9-5-4-8-25(26)27(34)33(19-22-14-16-32-17-15-22)18-21-10-12-24(13-11-21)35-20-23-6-2-1-3-7-23/h1-2,4-5,8-17,23H,3,6-7,18-20H2
InChIKeyRKNZNWCTMHKWMU-UHFFFAOYSA-N
MW480.53 g/mol
LogP6.68
Rot. Bonds8

About N-[[4-(cyclohex-3-en-1-ylmethoxy)phenyl]methyl]-N-(pyridin-4-ylmethyl)-2-(trifluoromethyl)benzamide

N-[[4-(cyclohex-3-en-1-ylmethoxy)phenyl]methyl]-N-(pyridin-4-ylmethyl)-2-(trifluoromethyl)benzamide (PubChem CID 45192491) has the molecular formula C28H27F3N2O2 and a molecular weight of 480.53 g/mol. Its IUPAC name is N-[[4-(cyclohex-3-en-1-ylmethoxy)phenyl]methyl]-N-(pyridin-4-ylmethyl)-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[[4-(cyclohex-3-en-1-ylmethoxy)phenyl]methyl]-N-(pyridin-4-ylmethyl)-2-(trifluoromethyl)benzamide
PubChem CID45192491
Molecular FormulaC28H27F3N2O2
Molecular Weight480.53 g/mol
Exact Mass480.20
IUPAC NameN-[[4-(cyclohex-3-en-1-ylmethoxy)phenyl]methyl]-N-(pyridin-4-ylmethyl)-2-(trifluoromethyl)benzamide
SMILESO=C(c1ccccc1C(F)(F)F)N(Cc1ccncc1)Cc1ccc(OCC2CC=CCC2)cc1
InChIInChI=1S/C28H27F3N2O2/c29-28(30,31)26-9-5-4-8-25(26)27(34)33(19-22-14-16-32-17-15-22)18-21-10-12-24(13-11-21)35-20-23-6-2-1-3-7-23/h1-2,4-5,8-17,23H,3,6-7,18-20H2
InChIKeyRKNZNWCTMHKWMU-UHFFFAOYSA-N
XLogP6.68
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.53
LogP ≤ 56.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-[[4-(cyclohex-3-en-1-ylmethoxy)phenyl]methyl]-N-(pyridin-4-ylmethyl)-2-(trifluoromethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[4-(cyclohex-3-en-1-ylmethoxy)phenyl]methyl]-N-(pyridin-4-ylmethyl)-2-(trifluoromethyl)benzamide?
The IUPAC name of N-[[4-(cyclohex-3-en-1-ylmethoxy)phenyl]methyl]-N-(pyridin-4-ylmethyl)-2-(trifluoromethyl)benzamide (CID 45192491) is N-[[4-(cyclohex-3-en-1-ylmethoxy)phenyl]methyl]-N-(pyridin-4-ylmethyl)-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[[4-(cyclohex-3-en-1-ylmethoxy)phenyl]methyl]-N-(pyridin-4-ylmethyl)-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-[[4-(cyclohex-3-en-1-ylmethoxy)phenyl]methyl]-N-(pyridin-4-ylmethyl)-2-(trifluoromethyl)benzamide is O=C(c1ccccc1C(F)(F)F)N(Cc1ccncc1)Cc1ccc(OCC2CC=CCC2)cc1.
What is the InChIKey of N-[[4-(cyclohex-3-en-1-ylmethoxy)phenyl]methyl]-N-(pyridin-4-ylmethyl)-2-(trifluoromethyl)benzamide?
The InChIKey is RKNZNWCTMHKWMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27F3N2O2/c29-28(30,31)26-9-5-4-8-25(26)27(34)33(19-22-14-16-32-17-15-22)18-21-10-12-24(13-11-21)35-20-23-6-2-1-3-7-23/h1-2,4-5,8-17,23H,3,6-7,18-20H2.
What are the key properties of N-[[4-(cyclohex-3-en-1-ylmethoxy)phenyl]methyl]-N-(pyridin-4-ylmethyl)-2-(trifluoromethyl)benzamide?
N-[[4-(cyclohex-3-en-1-ylmethoxy)phenyl]methyl]-N-(pyridin-4-ylmethyl)-2-(trifluoromethyl)benzamide has a molecular weight of 480.53 g/mol, XLogP of 6.68, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(cyclohex-3-en-1-ylmethoxy)phenyl]methyl]-N-(pyridin-4-ylmethyl)-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 45192491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).