3-(2-ethylanilino)-N-[3-(trifluoromethyl)phenyl]propanamide

C18H19F3N2O — CID 109036212

IUPAC3-(2-ethylanilino)-N-[3-(trifluoromethyl)phenyl]propanamide
SMILESCCc1ccccc1NCCC(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H19F3N2O/c1-2-13-6-3-4-9-16(13)22-11-10-17(24)23-15-8-5-7-14(12-15)18(19,20)21/h3-9,12,22H,2,10-11H2,1H3,(H,23,24)
InChIKeyQDNPVPNNVMQION-UHFFFAOYSA-N
MW336.36 g/mol
LogP4.71
Rot. Bonds6

About 3-(2-ethylanilino)-N-[3-(trifluoromethyl)phenyl]propanamide

3-(2-ethylanilino)-N-[3-(trifluoromethyl)phenyl]propanamide (PubChem CID 109036212) has the molecular formula C18H19F3N2O and a molecular weight of 336.36 g/mol. Its IUPAC name is 3-(2-ethylanilino)-N-[3-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name3-(2-ethylanilino)-N-[3-(trifluoromethyl)phenyl]propanamide
PubChem CID109036212
Molecular FormulaC18H19F3N2O
Molecular Weight336.36 g/mol
Exact Mass336.14
IUPAC Name3-(2-ethylanilino)-N-[3-(trifluoromethyl)phenyl]propanamide
SMILESCCc1ccccc1NCCC(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H19F3N2O/c1-2-13-6-3-4-9-16(13)22-11-10-17(24)23-15-8-5-7-14(12-15)18(19,20)21/h3-9,12,22H,2,10-11H2,1H3,(H,23,24)
InChIKeyQDNPVPNNVMQION-UHFFFAOYSA-N
XLogP4.71
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.36
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-ethoxyanilino)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 109039807
methyl 2-[[3-oxo-3-[3-(trifluoromethyl)anilino]propyl]amino]benzoate
CID 109040725
2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 9303896
3-(3-fluoroanilino)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 109040733
N-(3,4-dimethylphenyl)-3-(2-ethylanilino)propanamide
CID 109035425
N-(3-chlorophenyl)-3-[3-(trifluoromethyl)anilino]propanamide
CID 109037972
2-ethyl-N-[3-(trifluoromethyl)phenyl]aniline
CID 142875759
3-[(2-chlorophenyl)methylamino]-N-[3-(trifluoromethyl)phenyl]propanamide
CID 109021574
methyl 3-[[3-oxo-3-[3-(trifluoromethyl)anilino]propyl]amino]benzoate
CID 109040726
N-(3-acetylphenyl)-3-[2-(trifluoromethyl)anilino]propanamide
CID 109040680
N,N'-bis[3-(trifluoromethyl)phenyl]hexanediamide
CID 5058568
N-(3,5-dichlorophenyl)-3-(2-ethylanilino)propanamide
CID 109036245

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylanilino)-N-[3-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 3-(2-ethylanilino)-N-[3-(trifluoromethyl)phenyl]propanamide (CID 109036212) is 3-(2-ethylanilino)-N-[3-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 3-(2-ethylanilino)-N-[3-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 3-(2-ethylanilino)-N-[3-(trifluoromethyl)phenyl]propanamide is CCc1ccccc1NCCC(=O)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 3-(2-ethylanilino)-N-[3-(trifluoromethyl)phenyl]propanamide?
The InChIKey is QDNPVPNNVMQION-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N2O/c1-2-13-6-3-4-9-16(13)22-11-10-17(24)23-15-8-5-7-14(12-15)18(19,20)21/h3-9,12,22H,2,10-11H2,1H3,(H,23,24).
What are the key properties of 3-(2-ethylanilino)-N-[3-(trifluoromethyl)phenyl]propanamide?
3-(2-ethylanilino)-N-[3-(trifluoromethyl)phenyl]propanamide has a molecular weight of 336.36 g/mol, XLogP of 4.71, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylanilino)-N-[3-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 109036212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).