3-(3-methoxyphenyl)-N-[3-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]propanamide

C19H19F3N2O3 — CID 108934666

IUPAC3-(3-methoxyphenyl)-N-[3-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]propanamide
SMILESCOc1cccc(CCC(=O)Nc2cccc(CNC(=O)C(F)(F)F)c2)c1
InChIInChI=1S/C19H19F3N2O3/c1-27-16-7-3-4-13(11-16)8-9-17(25)24-15-6-2-5-14(10-15)12-23-18(26)19(20,21)22/h2-7,10-11H,8-9,12H2,1H3,(H,23,26)(H,24,25)
InChIKeyRHJWHSOCHBPXOR-UHFFFAOYSA-N
MW380.37 g/mol
LogP3.44
Rot. Bonds7

About 3-(3-methoxyphenyl)-N-[3-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]propanamide

3-(3-methoxyphenyl)-N-[3-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]propanamide (PubChem CID 108934666) has the molecular formula C19H19F3N2O3 and a molecular weight of 380.37 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-N-[3-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]propanamide.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-N-[3-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]propanamide
PubChem CID108934666
Molecular FormulaC19H19F3N2O3
Molecular Weight380.37 g/mol
Exact Mass380.13
IUPAC Name3-(3-methoxyphenyl)-N-[3-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]propanamide
SMILESCOc1cccc(CCC(=O)Nc2cccc(CNC(=O)C(F)(F)F)c2)c1
InChIInChI=1S/C19H19F3N2O3/c1-27-16-7-3-4-13(11-16)8-9-17(25)24-15-6-2-5-14(10-15)12-23-18(26)19(20,21)22/h2-7,10-11H,8-9,12H2,1H3,(H,23,26)(H,24,25)
InChIKeyRHJWHSOCHBPXOR-UHFFFAOYSA-N
XLogP3.44
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.37
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,2,2-trifluoro-N-[[3-[[2-(3-methoxyphenyl)acetyl]amino]phenyl]methyl]acetamide
CID 108934640
ethane;2,2,2-trifluoro-N-[(3-methoxyphenyl)methyl]acetamide
CID 143097704
3-(3-methoxyphenyl)-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]propanamide
CID 108934905
3-(3-methoxyphenyl)-N-(3-propan-2-ylphenyl)propanamide
CID 36568159
3-(4-methoxyphenyl)-N-[3-(methylaminomethyl)phenyl]propanamide
CID 119441047
N-[3-[[[N-[(3-methoxyphenyl)methyl]-N'-methylcarbamimidoyl]amino]methyl]phenyl]butanamide;hydroiodide
CID 111249506
tert-butyl N-[3-[3-[[[2-(3-methoxyphenyl)acetyl]amino]methyl]anilino]-3-oxopropyl]carbamate
CID 108921420
3-(4-fluorophenyl)-N-[(3-methoxyphenyl)methyl]propanamide
CID 43030428
N-(3-methoxyphenyl)-3-pyridin-4-ylpropanamide
CID 110468427
3-(3-methoxyphenyl)-N-(3-pyrrolidin-1-ylphenyl)propanamide
CID 110361627
3,3,3-trifluoro-N-[(3-methoxyphenyl)methyl]propanamide
CID 51076753
N-[3-[3-(3-methoxyphenyl)propanoylamino]phenyl]thiophene-2-carboxamide
CID 29335398

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-N-[3-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]propanamide?
The IUPAC name of 3-(3-methoxyphenyl)-N-[3-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]propanamide (CID 108934666) is 3-(3-methoxyphenyl)-N-[3-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]propanamide.
What is the SMILES notation for 3-(3-methoxyphenyl)-N-[3-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]propanamide?
The canonical SMILES for 3-(3-methoxyphenyl)-N-[3-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]propanamide is COc1cccc(CCC(=O)Nc2cccc(CNC(=O)C(F)(F)F)c2)c1.
What is the InChIKey of 3-(3-methoxyphenyl)-N-[3-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]propanamide?
The InChIKey is RHJWHSOCHBPXOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2O3/c1-27-16-7-3-4-13(11-16)8-9-17(25)24-15-6-2-5-14(10-15)12-23-18(26)19(20,21)22/h2-7,10-11H,8-9,12H2,1H3,(H,23,26)(H,24,25).
What are the key properties of 3-(3-methoxyphenyl)-N-[3-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]propanamide?
3-(3-methoxyphenyl)-N-[3-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]propanamide has a molecular weight of 380.37 g/mol, XLogP of 3.44, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)-N-[3-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]propanamide is sourced from PubChem (CID 108934666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).