3,4-dimethoxy-N-[1-[3-(trifluoromethyl)phenyl]ethyl]benzamide

C18H18F3NO3 — CID 17458520

IUPAC3,4-dimethoxy-N-[1-[3-(trifluoromethyl)phenyl]ethyl]benzamide
SMILESCOc1ccc(C(=O)NC(C)c2cccc(C(F)(F)F)c2)cc1OC
InChIInChI=1S/C18H18F3NO3/c1-11(12-5-4-6-14(9-12)18(19,20)21)22-17(23)13-7-8-15(24-2)16(10-13)25-3/h4-11H,1-3H3,(H,22,23)
InChIKeyLERQPJMSRREWOE-UHFFFAOYSA-N
MW353.34 g/mol
LogP4.21
Rot. Bonds5

About 3,4-dimethoxy-N-[1-[3-(trifluoromethyl)phenyl]ethyl]benzamide

3,4-dimethoxy-N-[1-[3-(trifluoromethyl)phenyl]ethyl]benzamide (PubChem CID 17458520) has the molecular formula C18H18F3NO3 and a molecular weight of 353.34 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[1-[3-(trifluoromethyl)phenyl]ethyl]benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[1-[3-(trifluoromethyl)phenyl]ethyl]benzamide
PubChem CID17458520
Molecular FormulaC18H18F3NO3
Molecular Weight353.34 g/mol
Exact Mass353.12
IUPAC Name3,4-dimethoxy-N-[1-[3-(trifluoromethyl)phenyl]ethyl]benzamide
SMILESCOc1ccc(C(=O)NC(C)c2cccc(C(F)(F)F)c2)cc1OC
InChIInChI=1S/C18H18F3NO3/c1-11(12-5-4-6-14(9-12)18(19,20)21)22-17(23)13-7-8-15(24-2)16(10-13)25-3/h4-11H,1-3H3,(H,22,23)
InChIKeyLERQPJMSRREWOE-UHFFFAOYSA-N
XLogP4.21
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.34
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-3-(trifluoromethyl)benzamide
CID 28560234
3-(dimethylsulfamoyl)-4-methoxy-N-[1-[3-(trifluoromethyl)phenyl]ethyl]benzamide
CID 112764009
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3-(trifluoromethyl)benzamide
CID 17427065
4-(2-amino-2-oxoethoxy)-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]benzamide
CID 41188273
6-methyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxamide
CID 42936491
4-tert-butyl-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]benzamide
CID 1344308
N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-3-(trifluoromethyl)benzamide
CID 7936459
N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-3-(trifluoromethyl)benzamide
CID 78875284
3,4-dimethoxy-N-[3-(trifluoromethyl)phenyl]benzamide
CID 678380
3-acetamido-N-[1-[3-(trifluoromethyl)phenyl]ethyl]benzamide
CID 47004839
4-(2-amino-2-oxoethoxy)-N-[(4-fluorophenyl)-[3-(trifluoromethyl)phenyl]methyl]-3-methoxybenzamide
CID 155944735
3,4-dimethoxy-N-[1-(4-propan-2-ylphenyl)ethyl]benzamide
CID 17328593

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[1-[3-(trifluoromethyl)phenyl]ethyl]benzamide?
The IUPAC name of 3,4-dimethoxy-N-[1-[3-(trifluoromethyl)phenyl]ethyl]benzamide (CID 17458520) is 3,4-dimethoxy-N-[1-[3-(trifluoromethyl)phenyl]ethyl]benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-[1-[3-(trifluoromethyl)phenyl]ethyl]benzamide?
The canonical SMILES for 3,4-dimethoxy-N-[1-[3-(trifluoromethyl)phenyl]ethyl]benzamide is COc1ccc(C(=O)NC(C)c2cccc(C(F)(F)F)c2)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-[1-[3-(trifluoromethyl)phenyl]ethyl]benzamide?
The InChIKey is LERQPJMSRREWOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3NO3/c1-11(12-5-4-6-14(9-12)18(19,20)21)22-17(23)13-7-8-15(24-2)16(10-13)25-3/h4-11H,1-3H3,(H,22,23).
What are the key properties of 3,4-dimethoxy-N-[1-[3-(trifluoromethyl)phenyl]ethyl]benzamide?
3,4-dimethoxy-N-[1-[3-(trifluoromethyl)phenyl]ethyl]benzamide has a molecular weight of 353.34 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-[1-[3-(trifluoromethyl)phenyl]ethyl]benzamide is sourced from PubChem (CID 17458520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).