N-[2-(4-methoxyphenyl)ethyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide

C19H20F3NO3 — CID 30094922

IUPACN-[2-(4-methoxyphenyl)ethyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide
SMILESCOc1ccc(CCNC(=O)c2ccc(COCC(F)(F)F)cc2)cc1
InChIInChI=1S/C19H20F3NO3/c1-25-17-8-4-14(5-9-17)10-11-23-18(24)16-6-2-15(3-7-16)12-26-13-19(20,21)22/h2-9H,10-13H2,1H3,(H,23,24)
InChIKeyXBBHOXSXJFYNGX-UHFFFAOYSA-N
MW367.37 g/mol
LogP3.75
Rot. Bonds8

About N-[2-(4-methoxyphenyl)ethyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide

N-[2-(4-methoxyphenyl)ethyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide (PubChem CID 30094922) has the molecular formula C19H20F3NO3 and a molecular weight of 367.37 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide
PubChem CID30094922
Molecular FormulaC19H20F3NO3
Molecular Weight367.37 g/mol
Exact Mass367.14
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide
SMILESCOc1ccc(CCNC(=O)c2ccc(COCC(F)(F)F)cc2)cc1
InChIInChI=1S/C19H20F3NO3/c1-25-17-8-4-14(5-9-17)10-11-23-18(24)16-6-2-15(3-7-16)12-26-13-19(20,21)22/h2-9H,10-13H2,1H3,(H,23,24)
InChIKeyXBBHOXSXJFYNGX-UHFFFAOYSA-N
XLogP3.75
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.37
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-methoxyphenyl)ethyl]-4-(trifluoromethyl)benzamide
CID 2162417
4-N-[2-(4-methoxyphenyl)ethyl]-1-N-propylbenzene-1,4-dicarboxamide
CID 109042916
4-(methoxymethyl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide
CID 30843162
N-(3-phenoxypropyl)-4-(2,2,2-trifluoroethoxymethyl)benzamide
CID 55484171
N-[2-(4-methoxyphenyl)ethyl]-4-(methylsulfonylmethyl)benzamide
CID 27548428
4-butoxy-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 7997659
1-N-[2-(4-fluorophenyl)ethyl]-4-N-(4-methoxyphenyl)benzene-1,4-dicarboxamide
CID 109048012
N-[2-(4-ethylsulfonylphenyl)ethyl]-4-methoxybenzamide
CID 110790705
4-(111C)methoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 56961355
2,2,3,3-tetrafluoro-N,N'-bis[2-(4-methoxyphenyl)ethyl]butanediamide
CID 2933838
N-[2-(4-methoxyphenyl)ethyl]naphthalene-2-carboxamide
CID 1343397
4-fluoro-N-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]benzamide
CID 27548793

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide (CID 30094922) is N-[2-(4-methoxyphenyl)ethyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide is COc1ccc(CCNC(=O)c2ccc(COCC(F)(F)F)cc2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide?
The InChIKey is XBBHOXSXJFYNGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3NO3/c1-25-17-8-4-14(5-9-17)10-11-23-18(24)16-6-2-15(3-7-16)12-26-13-19(20,21)22/h2-9H,10-13H2,1H3,(H,23,24).
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide?
N-[2-(4-methoxyphenyl)ethyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide has a molecular weight of 367.37 g/mol, XLogP of 3.75, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide is sourced from PubChem (CID 30094922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).