N-[2-[N-acetyl-3-(trifluoromethyl)anilino]ethyl]-3-phenylpropanamide

C20H21F3N2O2 — CID 113061447

IUPACN-[2-[N-acetyl-3-(trifluoromethyl)anilino]ethyl]-3-phenylpropanamide
SMILESCC(=O)N(CCNC(=O)CCc1ccccc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H21F3N2O2/c1-15(26)25(18-9-5-8-17(14-18)20(21,22)23)13-12-24-19(27)11-10-16-6-3-2-4-7-16/h2-9,14H,10-13H2,1H3,(H,24,27)
InChIKeyVTBFVXXDIJYACQ-UHFFFAOYSA-N
MW378.39 g/mol
LogP3.81
Rot. Bonds7

About N-[2-[N-acetyl-3-(trifluoromethyl)anilino]ethyl]-3-phenylpropanamide

N-[2-[N-acetyl-3-(trifluoromethyl)anilino]ethyl]-3-phenylpropanamide (PubChem CID 113061447) has the molecular formula C20H21F3N2O2 and a molecular weight of 378.39 g/mol. Its IUPAC name is N-[2-[N-acetyl-3-(trifluoromethyl)anilino]ethyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[2-[N-acetyl-3-(trifluoromethyl)anilino]ethyl]-3-phenylpropanamide
PubChem CID113061447
Molecular FormulaC20H21F3N2O2
Molecular Weight378.39 g/mol
Exact Mass378.16
IUPAC NameN-[2-[N-acetyl-3-(trifluoromethyl)anilino]ethyl]-3-phenylpropanamide
SMILESCC(=O)N(CCNC(=O)CCc1ccccc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H21F3N2O2/c1-15(26)25(18-9-5-8-17(14-18)20(21,22)23)13-12-24-19(27)11-10-16-6-3-2-4-7-16/h2-9,14H,10-13H2,1H3,(H,24,27)
InChIKeyVTBFVXXDIJYACQ-UHFFFAOYSA-N
XLogP3.81
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 ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[N-acetyl-3-(trifluoromethyl)anilino]ethyl]-2-phenylacetamide
CID 113061443
3-[N-acetyl-3-(trifluoromethyl)anilino]-N-benzylpropanamide
CID 113130429
3-[N-acetyl-3-(trifluoromethyl)anilino]-N-[2-(dimethylamino)ethyl]propanamide
CID 113130421
N-[2-(3-acetamido-N-acetylanilino)ethyl]-3-phenylpropanamide
CID 113061754
N-[2-(N-acetyl-3-cyanoanilino)ethyl]-3-phenylpropanamide
CID 113064234
N-[2-[N-acetyl-3-(trifluoromethyl)anilino]ethyl]-2-(2-fluorophenyl)acetamide
CID 113061457
2-[N-acetyl-3-(trifluoromethyl)anilino]-N-benzylacetamide
CID 113175125
3-[N-acetyl-3-(trifluoromethyl)anilino]-N-prop-2-enylpropanamide
CID 113130407
ethyl N-[2-[N-acetyl-3-(trifluoromethyl)anilino]ethyl]carbamate
CID 113061465
N-[2-(N-acetyl-4-propan-2-ylanilino)ethyl]-3-phenylpropanamide
CID 113058709
N-[2-(methanesulfonamido)ethyl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 113061471
3-[N-acetyl-3-(trifluoromethyl)anilino]-N-[(2-chlorophenyl)methyl]propanamide
CID 113130437

Frequently Asked Questions

What is the IUPAC name of N-[2-[N-acetyl-3-(trifluoromethyl)anilino]ethyl]-3-phenylpropanamide?
The IUPAC name of N-[2-[N-acetyl-3-(trifluoromethyl)anilino]ethyl]-3-phenylpropanamide (CID 113061447) is N-[2-[N-acetyl-3-(trifluoromethyl)anilino]ethyl]-3-phenylpropanamide.
What is the SMILES notation for N-[2-[N-acetyl-3-(trifluoromethyl)anilino]ethyl]-3-phenylpropanamide?
The canonical SMILES for N-[2-[N-acetyl-3-(trifluoromethyl)anilino]ethyl]-3-phenylpropanamide is CC(=O)N(CCNC(=O)CCc1ccccc1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[2-[N-acetyl-3-(trifluoromethyl)anilino]ethyl]-3-phenylpropanamide?
The InChIKey is VTBFVXXDIJYACQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N2O2/c1-15(26)25(18-9-5-8-17(14-18)20(21,22)23)13-12-24-19(27)11-10-16-6-3-2-4-7-16/h2-9,14H,10-13H2,1H3,(H,24,27).
What are the key properties of N-[2-[N-acetyl-3-(trifluoromethyl)anilino]ethyl]-3-phenylpropanamide?
N-[2-[N-acetyl-3-(trifluoromethyl)anilino]ethyl]-3-phenylpropanamide has a molecular weight of 378.39 g/mol, XLogP of 3.81, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[N-acetyl-3-(trifluoromethyl)anilino]ethyl]-3-phenylpropanamide is sourced from PubChem (CID 113061447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).