2-methoxy-5-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide

C25H22F3N5O3 — CID 11420595

IUPAC2-methoxy-5-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
SMILESCOc1ccc(Cn2nnc(-c3ccc(OC)c(C(=O)NCc4ccc(C(F)(F)F)cc4)c3)n2)cc1
InChIInChI=1S/C25H22F3N5O3/c1-35-20-10-5-17(6-11-20)15-33-31-23(30-32-33)18-7-12-22(36-2)21(13-18)24(34)29-14-16-3-8-19(9-4-16)25(26,27)28/h3-13H,14-15H2,1-2H3,(H,29,34)
InChIKeyRJAJXSNNIKOMMM-UHFFFAOYSA-N
MW497.48 g/mol
LogP4.35
Rot. Bonds8

About 2-methoxy-5-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide

2-methoxy-5-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide (PubChem CID 11420595) has the molecular formula C25H22F3N5O3 and a molecular weight of 497.48 g/mol. Its IUPAC name is 2-methoxy-5-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name2-methoxy-5-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
PubChem CID11420595
Molecular FormulaC25H22F3N5O3
Molecular Weight497.48 g/mol
Exact Mass497.17
IUPAC Name2-methoxy-5-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
SMILESCOc1ccc(Cn2nnc(-c3ccc(OC)c(C(=O)NCc4ccc(C(F)(F)F)cc4)c3)n2)cc1
InChIInChI=1S/C25H22F3N5O3/c1-35-20-10-5-17(6-11-20)15-33-31-23(30-32-33)18-7-12-22(36-2)21(13-18)24(34)29-14-16-3-8-19(9-4-16)25(26,27)28/h3-13H,14-15H2,1-2H3,(H,29,34)
InChIKeyRJAJXSNNIKOMMM-UHFFFAOYSA-N
XLogP4.35
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.48
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-methoxy-5-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[(4-methoxyphenyl)methyl]-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide
CID 2115697
N-[(4-methoxyphenyl)methyl]-4-[2-[(4-methylsulfonylphenyl)methyl]tetrazol-5-yl]pyridine-2-carboxamide
CID 68981244
N-[(4-methoxyphenyl)methyl]-4-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide
CID 53080240
2-(3,4-dimethoxyphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 27052353
ethyl 2-[4-methoxy-3-[[4-(trifluoromethyl)phenyl]methylcarbamoyl]phenoxy]acetate
CID 139985258
methyl 3-[4-methoxy-3-[[4-(trifluoromethyl)phenyl]methylcarbamoyl]phenyl]-2,2-dimethylpropanoate
CID 18678023
2,5-dimethoxy-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide
CID 18126361
3-bromo-4-hydroxy-5-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 17478378
N-[(4-hydroxyphenyl)methyl]-2,5-dimethoxybenzamide
CID 115577613
N-[(4-methoxyphenyl)methyl]-3-(trifluoromethyl)benzamide
CID 4149542
N-[(3,4-dimethoxyphenyl)methyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide
CID 7995467
2-[[4-methoxy-3-[[4-(trifluoromethyl)phenyl]methylcarbamoyl]phenyl]methylidene]butanoic acid
CID 85065177

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide?
The IUPAC name of 2-methoxy-5-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide (CID 11420595) is 2-methoxy-5-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide.
What is the SMILES notation for 2-methoxy-5-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide?
The canonical SMILES for 2-methoxy-5-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide is COc1ccc(Cn2nnc(-c3ccc(OC)c(C(=O)NCc4ccc(C(F)(F)F)cc4)c3)n2)cc1.
What is the InChIKey of 2-methoxy-5-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide?
The InChIKey is RJAJXSNNIKOMMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F3N5O3/c1-35-20-10-5-17(6-11-20)15-33-31-23(30-32-33)18-7-12-22(36-2)21(13-18)24(34)29-14-16-3-8-19(9-4-16)25(26,27)28/h3-13H,14-15H2,1-2H3,(H,29,34).
What are the key properties of 2-methoxy-5-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide?
2-methoxy-5-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide has a molecular weight of 497.48 g/mol, XLogP of 4.35, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 11420595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).