N-ethyl-3-[2-methyl-5-(trifluoromethyl)anilino]propanamide

C13H17F3N2O — CID 66479559

IUPACN-ethyl-3-[2-methyl-5-(trifluoromethyl)anilino]propanamide
SMILESCCNC(=O)CCNc1cc(C(F)(F)F)ccc1C
InChIInChI=1S/C13H17F3N2O/c1-3-17-12(19)6-7-18-11-8-10(13(14,15)16)5-4-9(11)2/h4-5,8,18H,3,6-7H2,1-2H3,(H,17,19)
InChIKeyRRISYMUUKXCDJV-UHFFFAOYSA-N
MW274.29 g/mol
LogP2.95
Rot. Bonds5

About N-ethyl-3-[2-methyl-5-(trifluoromethyl)anilino]propanamide

N-ethyl-3-[2-methyl-5-(trifluoromethyl)anilino]propanamide (PubChem CID 66479559) has the molecular formula C13H17F3N2O and a molecular weight of 274.29 g/mol. Its IUPAC name is N-ethyl-3-[2-methyl-5-(trifluoromethyl)anilino]propanamide.

Molecular Properties

Compound NameN-ethyl-3-[2-methyl-5-(trifluoromethyl)anilino]propanamide
PubChem CID66479559
Molecular FormulaC13H17F3N2O
Molecular Weight274.29 g/mol
Exact Mass274.13
IUPAC NameN-ethyl-3-[2-methyl-5-(trifluoromethyl)anilino]propanamide
SMILESCCNC(=O)CCNc1cc(C(F)(F)F)ccc1C
InChIInChI=1S/C13H17F3N2O/c1-3-17-12(19)6-7-18-11-8-10(13(14,15)16)5-4-9(11)2/h4-5,8,18H,3,6-7H2,1-2H3,(H,17,19)
InChIKeyRRISYMUUKXCDJV-UHFFFAOYSA-N
XLogP2.95
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-methyl-5-(trifluoromethyl)anilino]-N-propan-2-ylpropanamide
CID 66481346
N-ethyl-2-methyl-5-(trifluoromethyl)aniline
CID 66480929
N-ethyl-4-methyl-3-[3-[2-nitro-4-(trifluoromethyl)anilino]propanoylamino]benzamide
CID 55782763
N-butan-2-yl-2-[2-methyl-5-(trifluoromethyl)anilino]acetamide
CID 66476966
1-butyl-3-[2-methyl-5-(trifluoromethyl)phenyl]urea
CID 115670789
3-amino-N-[2-methyl-5-(trifluoromethyl)phenyl]propanamide;hydrochloride
CID 119280151
4-hydroxy-N-[2-methyl-5-(trifluoromethyl)phenyl]butanamide
CID 79192569
N-[2-(ethylamino)ethyl]-3-[2-nitro-4-(trifluoromethyl)anilino]propanamide;hydrochloride
CID 119506796
(Z)-2-ethyl-4-[2-methyl-5-(trifluoromethyl)anilino]but-2-enoic acid
CID 103255420
3-[2-chloro-5-(trifluoromethyl)anilino]-N-[3-(dimethylamino)propyl]propanamide
CID 109016986
(2S)-1-[2-methyl-5-(trifluoromethyl)anilino]propan-2-ol
CID 106932273
1-[2-methyl-5-(trifluoromethyl)anilino]propan-2-ol
CID 66479358

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[2-methyl-5-(trifluoromethyl)anilino]propanamide?
The IUPAC name of N-ethyl-3-[2-methyl-5-(trifluoromethyl)anilino]propanamide (CID 66479559) is N-ethyl-3-[2-methyl-5-(trifluoromethyl)anilino]propanamide.
What is the SMILES notation for N-ethyl-3-[2-methyl-5-(trifluoromethyl)anilino]propanamide?
The canonical SMILES for N-ethyl-3-[2-methyl-5-(trifluoromethyl)anilino]propanamide is CCNC(=O)CCNc1cc(C(F)(F)F)ccc1C.
What is the InChIKey of N-ethyl-3-[2-methyl-5-(trifluoromethyl)anilino]propanamide?
The InChIKey is RRISYMUUKXCDJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O/c1-3-17-12(19)6-7-18-11-8-10(13(14,15)16)5-4-9(11)2/h4-5,8,18H,3,6-7H2,1-2H3,(H,17,19).
What are the key properties of N-ethyl-3-[2-methyl-5-(trifluoromethyl)anilino]propanamide?
N-ethyl-3-[2-methyl-5-(trifluoromethyl)anilino]propanamide has a molecular weight of 274.29 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[2-methyl-5-(trifluoromethyl)anilino]propanamide is sourced from PubChem (CID 66479559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).