2-amino-2-ethyl-N-[2-fluoro-5-(trifluoromethyl)phenyl]butanamide

C13H16F4N2O — CID 79814613

IUPAC2-amino-2-ethyl-N-[2-fluoro-5-(trifluoromethyl)phenyl]butanamide
SMILESCCC(N)(CC)C(=O)Nc1cc(C(F)(F)F)ccc1F
InChIInChI=1S/C13H16F4N2O/c1-3-12(18,4-2)11(20)19-10-7-8(13(15,16)17)5-6-9(10)14/h5-7H,3-4,18H2,1-2H3,(H,19,20)
InChIKeyCQYWTEXUXCHEEU-UHFFFAOYSA-N
MW292.28 g/mol
LogP3.30
Rot. Bonds4

About 2-amino-2-ethyl-N-[2-fluoro-5-(trifluoromethyl)phenyl]butanamide

2-amino-2-ethyl-N-[2-fluoro-5-(trifluoromethyl)phenyl]butanamide (PubChem CID 79814613) has the molecular formula C13H16F4N2O and a molecular weight of 292.28 g/mol. Its IUPAC name is 2-amino-2-ethyl-N-[2-fluoro-5-(trifluoromethyl)phenyl]butanamide.

Molecular Properties

Compound Name2-amino-2-ethyl-N-[2-fluoro-5-(trifluoromethyl)phenyl]butanamide
PubChem CID79814613
Molecular FormulaC13H16F4N2O
Molecular Weight292.28 g/mol
Exact Mass292.12
IUPAC Name2-amino-2-ethyl-N-[2-fluoro-5-(trifluoromethyl)phenyl]butanamide
SMILESCCC(N)(CC)C(=O)Nc1cc(C(F)(F)F)ccc1F
InChIInChI=1S/C13H16F4N2O/c1-3-12(18,4-2)11(20)19-10-7-8(13(15,16)17)5-6-9(10)14/h5-7H,3-4,18H2,1-2H3,(H,19,20)
InChIKeyCQYWTEXUXCHEEU-UHFFFAOYSA-N
XLogP3.30
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.28
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(aminomethyl)-2-ethyl-N-[2-fluoro-5-(trifluoromethyl)phenyl]butanamide
CID 63036682
3-[(2-amino-2-ethylbutanoyl)amino]-4-fluorobenzoic acid
CID 79810234
(2S)-2-amino-N-[2-fluoro-5-(trifluoromethyl)phenyl]propanamide;hydrochloride
CID 119279745
2,2,3,3-tetrafluoro-N-[2-fluoro-5-(trifluoromethyl)phenyl]propanamide
CID 103733506
4-amino-N-[2-fluoro-5-(trifluoromethyl)phenyl]pentanamide;hydrochloride
CID 120559768
3-[2-fluoro-5-(trifluoromethyl)anilino]-3-oxopropanoic acid
CID 63049503
N-[2-fluoro-5-(trifluoromethyl)phenyl]-2-(propylamino)acetamide
CID 63035996
2-amino-N-[2-fluoro-5-(trifluoromethyl)phenyl]-3-methylbutanamide
CID 63037220
2-(tert-butylamino)-N-[2-fluoro-5-(trifluoromethyl)phenyl]acetamide
CID 78953142
2-[(2-amino-2-methylbutanoyl)amino]-4-(trifluoromethyl)benzoic acid
CID 79812505
ethyl 4-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]benzoate
CID 1298541
5-amino-N-[2-fluoro-5-(trifluoromethyl)phenyl]-4-methylpentanamide
CID 82010864

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-ethyl-N-[2-fluoro-5-(trifluoromethyl)phenyl]butanamide?
The IUPAC name of 2-amino-2-ethyl-N-[2-fluoro-5-(trifluoromethyl)phenyl]butanamide (CID 79814613) is 2-amino-2-ethyl-N-[2-fluoro-5-(trifluoromethyl)phenyl]butanamide.
What is the SMILES notation for 2-amino-2-ethyl-N-[2-fluoro-5-(trifluoromethyl)phenyl]butanamide?
The canonical SMILES for 2-amino-2-ethyl-N-[2-fluoro-5-(trifluoromethyl)phenyl]butanamide is CCC(N)(CC)C(=O)Nc1cc(C(F)(F)F)ccc1F.
What is the InChIKey of 2-amino-2-ethyl-N-[2-fluoro-5-(trifluoromethyl)phenyl]butanamide?
The InChIKey is CQYWTEXUXCHEEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F4N2O/c1-3-12(18,4-2)11(20)19-10-7-8(13(15,16)17)5-6-9(10)14/h5-7H,3-4,18H2,1-2H3,(H,19,20).
What are the key properties of 2-amino-2-ethyl-N-[2-fluoro-5-(trifluoromethyl)phenyl]butanamide?
2-amino-2-ethyl-N-[2-fluoro-5-(trifluoromethyl)phenyl]butanamide has a molecular weight of 292.28 g/mol, XLogP of 3.30, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-ethyl-N-[2-fluoro-5-(trifluoromethyl)phenyl]butanamide is sourced from PubChem (CID 79814613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).