3-(2-aminophenyl)-N-ethyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide

C20H23F3N2O — CID 120611042

IUPAC3-(2-aminophenyl)-N-ethyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide
SMILESCCN(C(=O)CCc1ccccc1N)C(C)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H23F3N2O/c1-3-25(19(26)12-11-15-7-4-5-10-18(15)24)14(2)16-8-6-9-17(13-16)20(21,22)23/h4-10,13-14H,3,11-12,24H2,1-2H3
InChIKeyBTZBGPQFFZVLTO-UHFFFAOYSA-N
MW364.41 g/mol
LogP4.83
Rot. Bonds6

About 3-(2-aminophenyl)-N-ethyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide

3-(2-aminophenyl)-N-ethyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide (PubChem CID 120611042) has the molecular formula C20H23F3N2O and a molecular weight of 364.41 g/mol. Its IUPAC name is 3-(2-aminophenyl)-N-ethyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide.

Molecular Properties

Compound Name3-(2-aminophenyl)-N-ethyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide
PubChem CID120611042
Molecular FormulaC20H23F3N2O
Molecular Weight364.41 g/mol
Exact Mass364.18
IUPAC Name3-(2-aminophenyl)-N-ethyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide
SMILESCCN(C(=O)CCc1ccccc1N)C(C)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H23F3N2O/c1-3-25(19(26)12-11-15-7-4-5-10-18(15)24)14(2)16-8-6-9-17(13-16)20(21,22)23/h4-10,13-14H,3,11-12,24H2,1-2H3
InChIKeyBTZBGPQFFZVLTO-UHFFFAOYSA-N
XLogP4.83
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-2-methoxy-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
CID 95571773
N-ethyl-2-(methylamino)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide;hydrochloride
CID 119794790
N-cyclopropyl-3-(2-hydroxyphenyl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide
CID 112820407
3-(2-aminophenyl)-N-[2-methyl-1-[3-(trifluoromethyl)phenyl]propyl]propanamide;hydrochloride
CID 120610313
4-amino-N-ethyl-3-methoxy-N-[1-[3-(trifluoromethyl)phenyl]ethyl]butanamide
CID 120592804
3-(2-aminophenyl)-N-butyl-N-(1-phenylethyl)propanamide;hydrochloride
CID 120611121
N-ethyl-2-(2-phenyl-1,3-oxazol-4-yl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
CID 78853702
3-(2-aminophenyl)-N-[1-(3-chlorophenyl)ethyl]-N-methylpropanamide
CID 120608860
3-amino-N-cyclopropyl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]propanamide
CID 99849482
3-amino-N-ethyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]cyclohexane-1-carboxamide
CID 119794789
ethyl 2-hydroxy-3-[3-(trifluoromethyl)phenyl]butanoate
CID 66290861
3-(2-aminophenyl)-N-[1-(4-fluorophenyl)ethyl]-N-methylpropanamide;hydrochloride
CID 120608425

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-N-ethyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide?
The IUPAC name of 3-(2-aminophenyl)-N-ethyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide (CID 120611042) is 3-(2-aminophenyl)-N-ethyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide.
What is the SMILES notation for 3-(2-aminophenyl)-N-ethyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide?
The canonical SMILES for 3-(2-aminophenyl)-N-ethyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide is CCN(C(=O)CCc1ccccc1N)C(C)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 3-(2-aminophenyl)-N-ethyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide?
The InChIKey is BTZBGPQFFZVLTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3N2O/c1-3-25(19(26)12-11-15-7-4-5-10-18(15)24)14(2)16-8-6-9-17(13-16)20(21,22)23/h4-10,13-14H,3,11-12,24H2,1-2H3.
What are the key properties of 3-(2-aminophenyl)-N-ethyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide?
3-(2-aminophenyl)-N-ethyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide has a molecular weight of 364.41 g/mol, XLogP of 4.83, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenyl)-N-ethyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide is sourced from PubChem (CID 120611042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).