2-[acetyl(3-phenylpropyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide

C20H21F3N2O2 — CID 113165897

IUPAC2-[acetyl(3-phenylpropyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESCC(=O)N(CCCc1ccccc1)CC(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C20H21F3N2O2/c1-15(26)25(13-7-10-16-8-3-2-4-9-16)14-19(27)24-18-12-6-5-11-17(18)20(21,22)23/h2-6,8-9,11-12H,7,10,13-14H2,1H3,(H,24,27)
InChIKeyHRXDHIWZHDTQRU-UHFFFAOYSA-N
MW378.39 g/mol
LogP4.13
Rot. Bonds7

About 2-[acetyl(3-phenylpropyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide

2-[acetyl(3-phenylpropyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide (PubChem CID 113165897) has the molecular formula C20H21F3N2O2 and a molecular weight of 378.39 g/mol. Its IUPAC name is 2-[acetyl(3-phenylpropyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[acetyl(3-phenylpropyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide
PubChem CID113165897
Molecular FormulaC20H21F3N2O2
Molecular Weight378.39 g/mol
Exact Mass378.16
IUPAC Name2-[acetyl(3-phenylpropyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESCC(=O)N(CCCc1ccccc1)CC(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C20H21F3N2O2/c1-15(26)25(13-7-10-16-8-3-2-4-9-16)14-19(27)24-18-12-6-5-11-17(18)20(21,22)23/h2-6,8-9,11-12H,7,10,13-14H2,1H3,(H,24,27)
InChIKeyHRXDHIWZHDTQRU-UHFFFAOYSA-N
XLogP4.13
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.39
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[acetyl(2-methoxyethyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 113159931
2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 113164597
3-[acetyl(benzyl)amino]-N-[2-(trifluoromethyl)phenyl]propanamide
CID 113118316
2-(dimethylamino)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 21383101
2-[acetyl(3-phenylpropyl)amino]-N-(2,6-difluorophenyl)acetamide
CID 113165936
2-[acetyl(3-phenylpropyl)amino]-N-(2,4-dimethylphenyl)acetamide
CID 113165855
2-[acetyl(2-morpholin-4-ylethyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 113160713
2-[acetyl(pyridin-2-ylmethyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 113163489
N-(4-acetylphenyl)-2-[acetyl(3-phenylpropyl)amino]acetamide
CID 113165901
2-[acetyl(3-phenylpropyl)amino]-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 113165811
2-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]-N-(2-tert-butylphenyl)acetamide
CID 113164883
N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-2-(trifluoromethyl)benzamide
CID 26356947

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(3-phenylpropyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[acetyl(3-phenylpropyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide (CID 113165897) is 2-[acetyl(3-phenylpropyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[acetyl(3-phenylpropyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[acetyl(3-phenylpropyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide is CC(=O)N(CCCc1ccccc1)CC(=O)Nc1ccccc1C(F)(F)F.
What is the InChIKey of 2-[acetyl(3-phenylpropyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide?
The InChIKey is HRXDHIWZHDTQRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N2O2/c1-15(26)25(13-7-10-16-8-3-2-4-9-16)14-19(27)24-18-12-6-5-11-17(18)20(21,22)23/h2-6,8-9,11-12H,7,10,13-14H2,1H3,(H,24,27).
What are the key properties of 2-[acetyl(3-phenylpropyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide?
2-[acetyl(3-phenylpropyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide has a molecular weight of 378.39 g/mol, XLogP of 4.13, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(3-phenylpropyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 113165897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).