N-(2-methoxyethyl)-3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzofuran-4-yl]-N-[3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzofuran-4-yl]phenyl]benzamide

C48H35F6NO4 — CID 87302191

IUPACN-(2-methoxyethyl)-3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzofuran-4-yl]-N-[3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzofuran-4-yl]phenyl]benzamide
SMILESCOCCN(C(=O)c1cccc(-c2cccc3oc(Cc4cccc(C(F)(F)F)c4)cc23)c1)c1cccc(-c2cccc3oc(Cc4cccc(C(F)(F)F)c4)cc23)c1
InChIInChI=1S/C48H35F6NO4/c1-57-21-20-55(37-15-5-11-33(27-37)41-17-7-19-45-43(41)29-39(59-45)25-31-9-3-14-36(23-31)48(52,53)54)46(56)34-12-4-10-32(26-34)40-16-6-18-44-42(40)28-38(58-44)24-30-8-2-13-35(22-30)47(49,50)51/h2-19,22-23,26-29H,20-21,24-25H2,1H3
InChIKeyDSJFWPSGXDYKRB-UHFFFAOYSA-N
MW803.80 g/mol
LogP13.03
Rot. Bonds11

About N-(2-methoxyethyl)-3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzofuran-4-yl]-N-[3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzofuran-4-yl]phenyl]benzamide

N-(2-methoxyethyl)-3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzofuran-4-yl]-N-[3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzofuran-4-yl]phenyl]benzamide (PubChem CID 87302191) has the molecular formula C48H35F6NO4 and a molecular weight of 803.80 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzofuran-4-yl]-N-[3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzofuran-4-yl]phenyl]benzamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzofuran-4-yl]-N-[3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzofuran-4-yl]phenyl]benzamide
PubChem CID87302191
Molecular FormulaC48H35F6NO4
Molecular Weight803.80 g/mol
Exact Mass803.25
IUPAC NameN-(2-methoxyethyl)-3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzofuran-4-yl]-N-[3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzofuran-4-yl]phenyl]benzamide
SMILESCOCCN(C(=O)c1cccc(-c2cccc3oc(Cc4cccc(C(F)(F)F)c4)cc23)c1)c1cccc(-c2cccc3oc(Cc4cccc(C(F)(F)F)c4)cc23)c1
InChIInChI=1S/C48H35F6NO4/c1-57-21-20-55(37-15-5-11-33(27-37)41-17-7-19-45-43(41)29-39(59-45)25-31-9-3-14-36(23-31)48(52,53)54)46(56)34-12-4-10-32(26-34)40-16-6-18-44-42(40)28-38(58-44)24-30-8-2-13-35(22-30)47(49,50)51/h2-19,22-23,26-29H,20-21,24-25H2,1H3
InChIKeyDSJFWPSGXDYKRB-UHFFFAOYSA-N
XLogP13.03
TPSA55.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500803.80
LogP ≤ 513.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-(2-methoxyethyl)-3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzofuran-4-yl]-N-[3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzofuran-4-yl]phenyl]benzamide with MolForge

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Related Compounds

N-(2-cyanoethyl)-3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzofuran-4-yl]benzamide
CID 59193751
N-[2-(methanesulfonamido)ethyl]-3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzofuran-4-yl]benzamide
CID 59194056
tert-butyl N-[2-[[3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzofuran-4-yl]benzoyl]amino]acetyl]carbamate
CID 59193874
N-methyl-4-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]phenyl]-1-benzofuran-2-carboxamide
CID 176661619
3-[3-fluoro-2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzothiophen-7-yl]-N-(2-methoxyethyl)benzamide
CID 59194094
N-(2-methoxyethyl)-3-[3-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzothiophen-7-yl]benzamide
CID 59194046
methyl 2-[[3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzothiophen-7-yl]benzoyl]amino]acetate
CID 59193803
N-(2-cyanoethyl)-3-[3-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzofuran-7-yl]benzamide
CID 59194004
4,4,5,5-tetramethyl-2-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzofuran-4-yl]-1,3,2-dioxaborolane
CID 68552876
ethyl 3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzothiophen-4-yl]benzoate;tribromophosphane
CID 87302058
2-fluoro-N-(2-methoxyethyl)-5-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzothiophen-7-yl]benzamide
CID 59193851
5-[[3-(trifluoromethyl)phenyl]methyl]furan-2-carboxylic acid
CID 90399964

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzofuran-4-yl]-N-[3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzofuran-4-yl]phenyl]benzamide?
The IUPAC name of N-(2-methoxyethyl)-3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzofuran-4-yl]-N-[3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzofuran-4-yl]phenyl]benzamide (CID 87302191) is N-(2-methoxyethyl)-3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzofuran-4-yl]-N-[3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzofuran-4-yl]phenyl]benzamide.
What is the SMILES notation for N-(2-methoxyethyl)-3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzofuran-4-yl]-N-[3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzofuran-4-yl]phenyl]benzamide?
The canonical SMILES for N-(2-methoxyethyl)-3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzofuran-4-yl]-N-[3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzofuran-4-yl]phenyl]benzamide is COCCN(C(=O)c1cccc(-c2cccc3oc(Cc4cccc(C(F)(F)F)c4)cc23)c1)c1cccc(-c2cccc3oc(Cc4cccc(C(F)(F)F)c4)cc23)c1.
What is the InChIKey of N-(2-methoxyethyl)-3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzofuran-4-yl]-N-[3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzofuran-4-yl]phenyl]benzamide?
The InChIKey is DSJFWPSGXDYKRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H35F6NO4/c1-57-21-20-55(37-15-5-11-33(27-37)41-17-7-19-45-43(41)29-39(59-45)25-31-9-3-14-36(23-31)48(52,53)54)46(56)34-12-4-10-32(26-34)40-16-6-18-44-42(40)28-38(58-44)24-30-8-2-13-35(22-30)47(49,50)51/h2-19,22-23,26-29H,20-21,24-25H2,1H3.
What are the key properties of N-(2-methoxyethyl)-3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzofuran-4-yl]-N-[3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzofuran-4-yl]phenyl]benzamide?
N-(2-methoxyethyl)-3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzofuran-4-yl]-N-[3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzofuran-4-yl]phenyl]benzamide has a molecular weight of 803.80 g/mol, XLogP of 13.03, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzofuran-4-yl]-N-[3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzofuran-4-yl]phenyl]benzamide is sourced from PubChem (CID 87302191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).