2,4-dimethoxy-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]benzamide

C18H18F3NO4 — CID 46423703

IUPAC2,4-dimethoxy-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]benzamide
SMILESCOc1ccc(C(=O)NC(C)c2ccc(OC(F)(F)F)cc2)c(OC)c1
InChIInChI=1S/C18H18F3NO4/c1-11(12-4-6-13(7-5-12)26-18(19,20)21)22-17(23)15-9-8-14(24-2)10-16(15)25-3/h4-11H,1-3H3,(H,22,23)
InChIKeyXAHXWQLWYBTTOP-UHFFFAOYSA-N
MW369.34 g/mol
LogP4.09
Rot. Bonds6

About 2,4-dimethoxy-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]benzamide

2,4-dimethoxy-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]benzamide (PubChem CID 46423703) has the molecular formula C18H18F3NO4 and a molecular weight of 369.34 g/mol. Its IUPAC name is 2,4-dimethoxy-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]benzamide.

Molecular Properties

Compound Name2,4-dimethoxy-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]benzamide
PubChem CID46423703
Molecular FormulaC18H18F3NO4
Molecular Weight369.34 g/mol
Exact Mass369.12
IUPAC Name2,4-dimethoxy-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]benzamide
SMILESCOc1ccc(C(=O)NC(C)c2ccc(OC(F)(F)F)cc2)c(OC)c1
InChIInChI=1S/C18H18F3NO4/c1-11(12-4-6-13(7-5-12)26-18(19,20)21)22-17(23)15-9-8-14(24-2)10-16(15)25-3/h4-11H,1-3H3,(H,22,23)
InChIKeyXAHXWQLWYBTTOP-UHFFFAOYSA-N
XLogP4.09
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.34
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-dimethoxy-N-[(1S)-1-phenylethyl]benzamide
CID 814199
2-methoxy-N-[1-[2-methyl-6-(2-oxopropyl)-4-pyridinyl]ethyl]-4-(trifluoromethoxy)benzamide
CID 160624082
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-4-(trifluoromethoxy)benzamide
CID 18227017
N-[1-(4-imidazol-1-ylphenyl)ethyl]-2,4-dimethoxybenzamide
CID 18112932
2-(4-methoxyphenoxy)-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide
CID 42957035
2,4-dimethoxy-N-[1-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 17467082
2-iodo-3-methyl-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]benzamide
CID 46483070
[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl] 2,4-dimethoxybenzoate
CID 7726595
2,4-difluoro-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide
CID 28560292
N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-(trifluoromethyl)benzamide
CID 28560281
N-[(1S)-1-(2-chlorophenyl)ethyl]-2,4-dimethoxybenzamide
CID 26907594
3-[(2,4-dimethoxybenzoyl)amino]butanoic acid
CID 43240643

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]benzamide?
The IUPAC name of 2,4-dimethoxy-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]benzamide (CID 46423703) is 2,4-dimethoxy-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]benzamide.
What is the SMILES notation for 2,4-dimethoxy-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]benzamide?
The canonical SMILES for 2,4-dimethoxy-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]benzamide is COc1ccc(C(=O)NC(C)c2ccc(OC(F)(F)F)cc2)c(OC)c1.
What is the InChIKey of 2,4-dimethoxy-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]benzamide?
The InChIKey is XAHXWQLWYBTTOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3NO4/c1-11(12-4-6-13(7-5-12)26-18(19,20)21)22-17(23)15-9-8-14(24-2)10-16(15)25-3/h4-11H,1-3H3,(H,22,23).
What are the key properties of 2,4-dimethoxy-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]benzamide?
2,4-dimethoxy-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]benzamide has a molecular weight of 369.34 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]benzamide is sourced from PubChem (CID 46423703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).