N-[2-(2,4-dimethoxyphenyl)ethyl]-4-(trifluoromethyl)benzamide

C18H18F3NO3 — CID 110601493

IUPACN-[2-(2,4-dimethoxyphenyl)ethyl]-4-(trifluoromethyl)benzamide
SMILESCOc1ccc(CCNC(=O)c2ccc(C(F)(F)F)cc2)c(OC)c1
InChIInChI=1S/C18H18F3NO3/c1-24-15-8-5-12(16(11-15)25-2)9-10-22-17(23)13-3-6-14(7-4-13)18(19,20)21/h3-8,11H,9-10H2,1-2H3,(H,22,23)
InChIKeyMZOWTSYHAOSRLR-UHFFFAOYSA-N
MW353.34 g/mol
LogP3.70
Rot. Bonds6

About N-[2-(2,4-dimethoxyphenyl)ethyl]-4-(trifluoromethyl)benzamide

N-[2-(2,4-dimethoxyphenyl)ethyl]-4-(trifluoromethyl)benzamide (PubChem CID 110601493) has the molecular formula C18H18F3NO3 and a molecular weight of 353.34 g/mol. Its IUPAC name is N-[2-(2,4-dimethoxyphenyl)ethyl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-(2,4-dimethoxyphenyl)ethyl]-4-(trifluoromethyl)benzamide
PubChem CID110601493
Molecular FormulaC18H18F3NO3
Molecular Weight353.34 g/mol
Exact Mass353.12
IUPAC NameN-[2-(2,4-dimethoxyphenyl)ethyl]-4-(trifluoromethyl)benzamide
SMILESCOc1ccc(CCNC(=O)c2ccc(C(F)(F)F)cc2)c(OC)c1
InChIInChI=1S/C18H18F3NO3/c1-24-15-8-5-12(16(11-15)25-2)9-10-22-17(23)13-3-6-14(7-4-13)18(19,20)21/h3-8,11H,9-10H2,1-2H3,(H,22,23)
InChIKeyMZOWTSYHAOSRLR-UHFFFAOYSA-N
XLogP3.70
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.34
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-methoxyphenyl)ethyl]-4-(trifluoromethyl)benzamide
CID 2162417
N-[2-(2,4-dimethoxyphenyl)ethyl]-4-pyrrolidin-1-ylbenzamide
CID 110615920
N-[2-(2-acetyl-5-methoxyphenoxy)ethyl]-4-(trifluoromethyl)benzamide
CID 175009727
4-tert-butyl-N-[(2,4-dimethoxyphenyl)methyl]benzamide
CID 71822536
N-[2-(2,4-dimethoxyphenyl)ethyl]-2-ethylbutanamide
CID 110408765
N-[2-(2,4-dimethoxyphenyl)ethyl]-2-hydroxyacetamide
CID 94687467
4-methoxy-N-[2-[[2-[4-(trifluoromethyl)phenoxy]acetyl]amino]ethyl]benzamide
CID 60513577
4-[3-[2-(2,4-dimethoxyphenyl)ethylamino]-3-oxopropyl]benzoic acid
CID 119182295
N-[2-(2,5-difluorophenyl)ethyl]-4-methoxybenzamide
CID 110788169
4-(aminomethyl)-N-[2-(2,5-dimethoxyphenyl)ethyl]benzamide
CID 119279771
4-tert-butyl-N-[2-[2-(2,5-dimethoxyphenyl)ethylamino]-2-oxoethyl]benzamide
CID 110601136
1-[2-(2,4-dimethoxyphenyl)ethyl]-3-[2-(2-methoxyphenyl)ethyl]urea
CID 110408905

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dimethoxyphenyl)ethyl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[2-(2,4-dimethoxyphenyl)ethyl]-4-(trifluoromethyl)benzamide (CID 110601493) is N-[2-(2,4-dimethoxyphenyl)ethyl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-(2,4-dimethoxyphenyl)ethyl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-(2,4-dimethoxyphenyl)ethyl]-4-(trifluoromethyl)benzamide is COc1ccc(CCNC(=O)c2ccc(C(F)(F)F)cc2)c(OC)c1.
What is the InChIKey of N-[2-(2,4-dimethoxyphenyl)ethyl]-4-(trifluoromethyl)benzamide?
The InChIKey is MZOWTSYHAOSRLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3NO3/c1-24-15-8-5-12(16(11-15)25-2)9-10-22-17(23)13-3-6-14(7-4-13)18(19,20)21/h3-8,11H,9-10H2,1-2H3,(H,22,23).
What are the key properties of N-[2-(2,4-dimethoxyphenyl)ethyl]-4-(trifluoromethyl)benzamide?
N-[2-(2,4-dimethoxyphenyl)ethyl]-4-(trifluoromethyl)benzamide has a molecular weight of 353.34 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dimethoxyphenyl)ethyl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 110601493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).