N-[2-(2-methoxyphenyl)ethyl]-N-[(4-methoxyphenyl)methyl]-4-(trifluoromethyl)benzamide

C25H24F3NO3 — CID 42773961

IUPACN-[2-(2-methoxyphenyl)ethyl]-N-[(4-methoxyphenyl)methyl]-4-(trifluoromethyl)benzamide
SMILESCOc1ccc(CN(CCc2ccccc2OC)C(=O)c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C25H24F3NO3/c1-31-22-13-7-18(8-14-22)17-29(16-15-19-5-3-4-6-23(19)32-2)24(30)20-9-11-21(12-10-20)25(26,27)28/h3-14H,15-17H2,1-2H3
InChIKeyCALPECBZFNBWIB-UHFFFAOYSA-N
MW443.47 g/mol
LogP5.61
Rot. Bonds8

About N-[2-(2-methoxyphenyl)ethyl]-N-[(4-methoxyphenyl)methyl]-4-(trifluoromethyl)benzamide

N-[2-(2-methoxyphenyl)ethyl]-N-[(4-methoxyphenyl)methyl]-4-(trifluoromethyl)benzamide (PubChem CID 42773961) has the molecular formula C25H24F3NO3 and a molecular weight of 443.47 g/mol. Its IUPAC name is N-[2-(2-methoxyphenyl)ethyl]-N-[(4-methoxyphenyl)methyl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-(2-methoxyphenyl)ethyl]-N-[(4-methoxyphenyl)methyl]-4-(trifluoromethyl)benzamide
PubChem CID42773961
Molecular FormulaC25H24F3NO3
Molecular Weight443.47 g/mol
Exact Mass443.17
IUPAC NameN-[2-(2-methoxyphenyl)ethyl]-N-[(4-methoxyphenyl)methyl]-4-(trifluoromethyl)benzamide
SMILESCOc1ccc(CN(CCc2ccccc2OC)C(=O)c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C25H24F3NO3/c1-31-22-13-7-18(8-14-22)17-29(16-15-19-5-3-4-6-23(19)32-2)24(30)20-9-11-21(12-10-20)25(26,27)28/h3-14H,15-17H2,1-2H3
InChIKeyCALPECBZFNBWIB-UHFFFAOYSA-N
XLogP5.61
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.47
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-methoxyphenyl)-1-[4-(trifluoromethyl)phenyl]propan-1-one
CID 24725798
N-[2-(4-methoxyphenyl)ethyl]-N-methyl-4-(trifluoromethyl)benzamide
CID 110287984
3-(2-methoxyphenyl)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 112791757
N-[2-(2-methoxyphenyl)ethyl]-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 8510041
2-[4-[[(3,5-dimethoxybenzoyl)-[3-(2-methoxyphenyl)propyl]amino]methyl]phenyl]acetic acid
CID 66774386
N-[2-(4-methoxyphenyl)ethyl]-4-(trifluoromethyl)benzamide
CID 2162417
2-(4-methoxyphenyl)-N-[2-(2-methoxyphenyl)ethyl]-N-methylacetamide
CID 110287852
N-[(2-methoxyphenyl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 51272108
N-benzyl-N-(2-bromoethyl)-4-methoxybenzamide
CID 80656055
N-[2-(2,4-dimethoxyphenyl)ethyl]-4-(trifluoromethyl)benzamide
CID 110601493
methyl [2,3,6-trimethyl-5-[2-[[4-(trifluoromethoxy)phenyl]methyl-[4-(trifluoromethyl)benzoyl]amino]ethyl]-4-pyridinyl] carbonate
CID 145030967
2-(4-methoxyphenyl)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 78771326

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyphenyl)ethyl]-N-[(4-methoxyphenyl)methyl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[2-(2-methoxyphenyl)ethyl]-N-[(4-methoxyphenyl)methyl]-4-(trifluoromethyl)benzamide (CID 42773961) is N-[2-(2-methoxyphenyl)ethyl]-N-[(4-methoxyphenyl)methyl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-(2-methoxyphenyl)ethyl]-N-[(4-methoxyphenyl)methyl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-(2-methoxyphenyl)ethyl]-N-[(4-methoxyphenyl)methyl]-4-(trifluoromethyl)benzamide is COc1ccc(CN(CCc2ccccc2OC)C(=O)c2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of N-[2-(2-methoxyphenyl)ethyl]-N-[(4-methoxyphenyl)methyl]-4-(trifluoromethyl)benzamide?
The InChIKey is CALPECBZFNBWIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F3NO3/c1-31-22-13-7-18(8-14-22)17-29(16-15-19-5-3-4-6-23(19)32-2)24(30)20-9-11-21(12-10-20)25(26,27)28/h3-14H,15-17H2,1-2H3.
What are the key properties of N-[2-(2-methoxyphenyl)ethyl]-N-[(4-methoxyphenyl)methyl]-4-(trifluoromethyl)benzamide?
N-[2-(2-methoxyphenyl)ethyl]-N-[(4-methoxyphenyl)methyl]-4-(trifluoromethyl)benzamide has a molecular weight of 443.47 g/mol, XLogP of 5.61, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyphenyl)ethyl]-N-[(4-methoxyphenyl)methyl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 42773961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).