3-(4-fluoro-N-[2-[3-(trifluoromethyl)phenyl]acetyl]anilino)propanamide

C18H16F4N2O2 — CID 17419918

IUPAC3-(4-fluoro-N-[2-[3-(trifluoromethyl)phenyl]acetyl]anilino)propanamide
SMILESNC(=O)CCN(C(=O)Cc1cccc(C(F)(F)F)c1)c1ccc(F)cc1
InChIInChI=1S/C18H16F4N2O2/c19-14-4-6-15(7-5-14)24(9-8-16(23)25)17(26)11-12-2-1-3-13(10-12)18(20,21)22/h1-7,10H,8-9,11H2,(H2,23,25)
InChIKeyIVBUQLCUQGLTRQ-UHFFFAOYSA-N
MW368.33 g/mol
LogP3.30
Rot. Bonds6

About 3-(4-fluoro-N-[2-[3-(trifluoromethyl)phenyl]acetyl]anilino)propanamide

3-(4-fluoro-N-[2-[3-(trifluoromethyl)phenyl]acetyl]anilino)propanamide (PubChem CID 17419918) has the molecular formula C18H16F4N2O2 and a molecular weight of 368.33 g/mol. Its IUPAC name is 3-(4-fluoro-N-[2-[3-(trifluoromethyl)phenyl]acetyl]anilino)propanamide.

Molecular Properties

Compound Name3-(4-fluoro-N-[2-[3-(trifluoromethyl)phenyl]acetyl]anilino)propanamide
PubChem CID17419918
Molecular FormulaC18H16F4N2O2
Molecular Weight368.33 g/mol
Exact Mass368.11
IUPAC Name3-(4-fluoro-N-[2-[3-(trifluoromethyl)phenyl]acetyl]anilino)propanamide
SMILESNC(=O)CCN(C(=O)Cc1cccc(C(F)(F)F)c1)c1ccc(F)cc1
InChIInChI=1S/C18H16F4N2O2/c19-14-4-6-15(7-5-14)24(9-8-16(23)25)17(26)11-12-2-1-3-13(10-12)18(20,21)22/h1-7,10H,8-9,11H2,(H2,23,25)
InChIKeyIVBUQLCUQGLTRQ-UHFFFAOYSA-N
XLogP3.30
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.33
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-fluoro-N-(2-naphthalen-2-ylacetyl)anilino)propanamide
CID 134016137
[2-(N-(3-amino-3-oxopropyl)-4-fluoroanilino)-2-oxoethyl] 4-(trifluoromethyl)benzoate
CID 27310320
N-(3-amino-3-oxopropyl)-N-benzyl-3-(trifluoromethyl)benzamide
CID 17397571
[2-(N-(3-amino-3-oxopropyl)-4-fluoroanilino)-2-oxoethyl] 3-hydroxybenzoate
CID 27309884
3-[methyl-[2-[3-(trifluoromethyl)phenyl]acetyl]amino]propanoic acid
CID 60988760
[2-(N-(3-amino-3-oxopropyl)-4-fluoroanilino)-2-oxoethyl] 3-phenylmethoxybenzoate
CID 24526169
[2-(N-(3-amino-3-oxopropyl)-4-fluoroanilino)-2-oxoethyl] 4-(2,2,2-trifluoroethoxymethyl)benzoate
CID 46681292
1-[4-(4-fluorophenyl)phenyl]-2-[3-(trifluoromethyl)phenyl]ethanone
CID 57090023
1-(3-fluorophenyl)-3-[3-(trifluoromethyl)phenyl]propan-2-one
CID 62621173
3-[[3-(trifluoromethyl)phenyl]methylamino]propanamide
CID 43090002
2-[3-(trifluoromethyl)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 26241577
[2-(4-fluoroanilino)-2-oxoethyl] 2-[3-(trifluoromethyl)phenyl]acetate
CID 7767521

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoro-N-[2-[3-(trifluoromethyl)phenyl]acetyl]anilino)propanamide?
The IUPAC name of 3-(4-fluoro-N-[2-[3-(trifluoromethyl)phenyl]acetyl]anilino)propanamide (CID 17419918) is 3-(4-fluoro-N-[2-[3-(trifluoromethyl)phenyl]acetyl]anilino)propanamide.
What is the SMILES notation for 3-(4-fluoro-N-[2-[3-(trifluoromethyl)phenyl]acetyl]anilino)propanamide?
The canonical SMILES for 3-(4-fluoro-N-[2-[3-(trifluoromethyl)phenyl]acetyl]anilino)propanamide is NC(=O)CCN(C(=O)Cc1cccc(C(F)(F)F)c1)c1ccc(F)cc1.
What is the InChIKey of 3-(4-fluoro-N-[2-[3-(trifluoromethyl)phenyl]acetyl]anilino)propanamide?
The InChIKey is IVBUQLCUQGLTRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F4N2O2/c19-14-4-6-15(7-5-14)24(9-8-16(23)25)17(26)11-12-2-1-3-13(10-12)18(20,21)22/h1-7,10H,8-9,11H2,(H2,23,25).
What are the key properties of 3-(4-fluoro-N-[2-[3-(trifluoromethyl)phenyl]acetyl]anilino)propanamide?
3-(4-fluoro-N-[2-[3-(trifluoromethyl)phenyl]acetyl]anilino)propanamide has a molecular weight of 368.33 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoro-N-[2-[3-(trifluoromethyl)phenyl]acetyl]anilino)propanamide is sourced from PubChem (CID 17419918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).