3-(2,5-dimethoxyphenyl)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]propanamide

C19H19F4NO3 — CID 55708503

IUPAC3-(2,5-dimethoxyphenyl)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]propanamide
SMILESCOc1ccc(OC)c(CCC(=O)NCc2ccc(F)cc2C(F)(F)F)c1
InChIInChI=1S/C19H19F4NO3/c1-26-15-6-7-17(27-2)12(9-15)4-8-18(25)24-11-13-3-5-14(20)10-16(13)19(21,22)23/h3,5-7,9-10H,4,8,11H2,1-2H3,(H,24,25)
InChIKeyAGNGLBNXLNZISG-UHFFFAOYSA-N
MW385.36 g/mol
LogP4.11
Rot. Bonds7

About 3-(2,5-dimethoxyphenyl)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]propanamide

3-(2,5-dimethoxyphenyl)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]propanamide (PubChem CID 55708503) has the molecular formula C19H19F4NO3 and a molecular weight of 385.36 g/mol. Its IUPAC name is 3-(2,5-dimethoxyphenyl)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]propanamide.

Molecular Properties

Compound Name3-(2,5-dimethoxyphenyl)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]propanamide
PubChem CID55708503
Molecular FormulaC19H19F4NO3
Molecular Weight385.36 g/mol
Exact Mass385.13
IUPAC Name3-(2,5-dimethoxyphenyl)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]propanamide
SMILESCOc1ccc(OC)c(CCC(=O)NCc2ccc(F)cc2C(F)(F)F)c1
InChIInChI=1S/C19H19F4NO3/c1-26-15-6-7-17(27-2)12(9-15)4-8-18(25)24-11-13-3-5-14(20)10-16(13)19(21,22)23/h3,5-7,9-10H,4,8,11H2,1-2H3,(H,24,25)
InChIKeyAGNGLBNXLNZISG-UHFFFAOYSA-N
XLogP4.11
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.36
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanamide
CID 55705982
3-(2,5-dimethoxyphenyl)-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]propanamide
CID 38143412
3-[4-(difluoromethoxy)phenyl]-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]propanamide
CID 78876423
N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-3-(4-methylphenyl)propanamide
CID 46485625
N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-6-methoxy-1H-indole-2-carboxamide
CID 55721215
3-(4-chlorophenyl)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]propanamide
CID 46485685
3-(3,4-dimethoxyphenyl)-N-[(2,5-dimethoxyphenyl)methyl]propanamide
CID 33109851
N-(2-acetamidoethyl)-3-(2,5-dimethoxyphenyl)propanamide
CID 38004607
N-(2-aminoethyl)-3-(2,5-dimethoxyphenyl)propanamide
CID 94690716
4-[(5-fluoro-2-methoxyphenyl)methylamino]-4-oxobutanoic acid
CID 94691306
3-chloro-N-[(5-fluoro-2-methoxyphenyl)methyl]propanamide
CID 115162483
N-[(5-fluoro-2-methoxyphenyl)methyl]-2-(2-methoxyphenyl)acetamide
CID 110780208

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethoxyphenyl)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]propanamide?
The IUPAC name of 3-(2,5-dimethoxyphenyl)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]propanamide (CID 55708503) is 3-(2,5-dimethoxyphenyl)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]propanamide.
What is the SMILES notation for 3-(2,5-dimethoxyphenyl)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]propanamide?
The canonical SMILES for 3-(2,5-dimethoxyphenyl)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]propanamide is COc1ccc(OC)c(CCC(=O)NCc2ccc(F)cc2C(F)(F)F)c1.
What is the InChIKey of 3-(2,5-dimethoxyphenyl)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]propanamide?
The InChIKey is AGNGLBNXLNZISG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F4NO3/c1-26-15-6-7-17(27-2)12(9-15)4-8-18(25)24-11-13-3-5-14(20)10-16(13)19(21,22)23/h3,5-7,9-10H,4,8,11H2,1-2H3,(H,24,25).
What are the key properties of 3-(2,5-dimethoxyphenyl)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]propanamide?
3-(2,5-dimethoxyphenyl)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]propanamide has a molecular weight of 385.36 g/mol, XLogP of 4.11, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethoxyphenyl)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]propanamide is sourced from PubChem (CID 55708503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).