3-[acetyl-[2-(4-fluorophenyl)ethyl]amino]-N-[4-(trifluoromethyl)phenyl]propanamide

C20H20F4N2O2 — CID 113121176

IUPAC3-[acetyl-[2-(4-fluorophenyl)ethyl]amino]-N-[4-(trifluoromethyl)phenyl]propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccc(C(F)(F)F)cc1)CCc1ccc(F)cc1
InChIInChI=1S/C20H20F4N2O2/c1-14(27)26(12-10-15-2-6-17(21)7-3-15)13-11-19(28)25-18-8-4-16(5-9-18)20(22,23)24/h2-9H,10-13H2,1H3,(H,25,28)
InChIKeyGLHZMKJNQREBAZ-UHFFFAOYSA-N
MW396.38 g/mol
LogP4.26
Rot. Bonds7

About 3-[acetyl-[2-(4-fluorophenyl)ethyl]amino]-N-[4-(trifluoromethyl)phenyl]propanamide

3-[acetyl-[2-(4-fluorophenyl)ethyl]amino]-N-[4-(trifluoromethyl)phenyl]propanamide (PubChem CID 113121176) has the molecular formula C20H20F4N2O2 and a molecular weight of 396.38 g/mol. Its IUPAC name is 3-[acetyl-[2-(4-fluorophenyl)ethyl]amino]-N-[4-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name3-[acetyl-[2-(4-fluorophenyl)ethyl]amino]-N-[4-(trifluoromethyl)phenyl]propanamide
PubChem CID113121176
Molecular FormulaC20H20F4N2O2
Molecular Weight396.38 g/mol
Exact Mass396.15
IUPAC Name3-[acetyl-[2-(4-fluorophenyl)ethyl]amino]-N-[4-(trifluoromethyl)phenyl]propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccc(C(F)(F)F)cc1)CCc1ccc(F)cc1
InChIInChI=1S/C20H20F4N2O2/c1-14(27)26(12-10-15-2-6-17(21)7-3-15)13-11-19(28)25-18-8-4-16(5-9-18)20(22,23)24/h2-9H,10-13H2,1H3,(H,25,28)
InChIKeyGLHZMKJNQREBAZ-UHFFFAOYSA-N
XLogP4.26
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.38
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[acetyl-[2-(4-fluorophenyl)ethyl]amino]-N-(4-tert-butylphenyl)propanamide
CID 113121149
2-[acetyl-[2-(4-fluorophenyl)ethyl]amino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 113164436
3-(4-fluorophenyl)-N-[4-(trifluoromethyl)phenyl]propanamide
CID 27844351
3-[acetyl(3-methoxypropyl)amino]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 113117197
N-[2-[acetyl-[2-(4-fluorophenyl)ethyl]amino]ethyl]-4-(trifluoromethyl)benzamide
CID 113055767
3-[2-(4-fluorophenyl)ethylamino]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 109025174
3-[acetyl-[2-(4-fluorophenyl)ethyl]amino]-N-(3-chloro-4-methoxyphenyl)propanamide
CID 113121161
3-[acetyl-[(4-fluorophenyl)methyl]amino]-N-(4-ethylphenyl)propanamide
CID 113119327
2-[acetyl-[2-(4-fluorophenyl)ethyl]amino]-N-(4-ethylphenyl)acetamide
CID 113164399
3-[acetyl(2-phenylethyl)amino]-N-(4-ethylphenyl)propanamide
CID 113120822
3-[acetyl(benzyl)amino]-N-(4-fluorophenyl)propanamide
CID 113118291
3-[acetyl(2-morpholin-4-ylethyl)amino]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 113117766

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl-[2-(4-fluorophenyl)ethyl]amino]-N-[4-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 3-[acetyl-[2-(4-fluorophenyl)ethyl]amino]-N-[4-(trifluoromethyl)phenyl]propanamide (CID 113121176) is 3-[acetyl-[2-(4-fluorophenyl)ethyl]amino]-N-[4-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 3-[acetyl-[2-(4-fluorophenyl)ethyl]amino]-N-[4-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 3-[acetyl-[2-(4-fluorophenyl)ethyl]amino]-N-[4-(trifluoromethyl)phenyl]propanamide is CC(=O)N(CCC(=O)Nc1ccc(C(F)(F)F)cc1)CCc1ccc(F)cc1.
What is the InChIKey of 3-[acetyl-[2-(4-fluorophenyl)ethyl]amino]-N-[4-(trifluoromethyl)phenyl]propanamide?
The InChIKey is GLHZMKJNQREBAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F4N2O2/c1-14(27)26(12-10-15-2-6-17(21)7-3-15)13-11-19(28)25-18-8-4-16(5-9-18)20(22,23)24/h2-9H,10-13H2,1H3,(H,25,28).
What are the key properties of 3-[acetyl-[2-(4-fluorophenyl)ethyl]amino]-N-[4-(trifluoromethyl)phenyl]propanamide?
3-[acetyl-[2-(4-fluorophenyl)ethyl]amino]-N-[4-(trifluoromethyl)phenyl]propanamide has a molecular weight of 396.38 g/mol, XLogP of 4.26, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl-[2-(4-fluorophenyl)ethyl]amino]-N-[4-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 113121176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).