2-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]-2-ethylbutanamide

C13H16ClF3N2O — CID 116699866

IUPAC2-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]-2-ethylbutanamide
SMILESCCC(N)(CC)C(=O)Nc1cc(Cl)cc(C(F)(F)F)c1
InChIInChI=1S/C13H16ClF3N2O/c1-3-12(18,4-2)11(20)19-10-6-8(13(15,16)17)5-9(14)7-10/h5-7H,3-4,18H2,1-2H3,(H,19,20)
InChIKeyKIFBQZIDVMCAEG-UHFFFAOYSA-N
MW308.73 g/mol
LogP3.81
Rot. Bonds4

About 2-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]-2-ethylbutanamide

2-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]-2-ethylbutanamide (PubChem CID 116699866) has the molecular formula C13H16ClF3N2O and a molecular weight of 308.73 g/mol. Its IUPAC name is 2-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]-2-ethylbutanamide.

Molecular Properties

Compound Name2-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]-2-ethylbutanamide
PubChem CID116699866
Molecular FormulaC13H16ClF3N2O
Molecular Weight308.73 g/mol
Exact Mass308.09
IUPAC Name2-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]-2-ethylbutanamide
SMILESCCC(N)(CC)C(=O)Nc1cc(Cl)cc(C(F)(F)F)c1
InChIInChI=1S/C13H16ClF3N2O/c1-3-12(18,4-2)11(20)19-10-6-8(13(15,16)17)5-9(14)7-10/h5-7H,3-4,18H2,1-2H3,(H,19,20)
InChIKeyKIFBQZIDVMCAEG-UHFFFAOYSA-N
XLogP3.81
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.73
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-chloro-5-(trifluoromethyl)phenyl]-3-ethylurea
CID 116699308
N-[3-chloro-5-(trifluoromethyl)phenyl]-2-cyano-2-methylbutanamide
CID 116699929
2-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 116699767
(2S)-2-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]pentanamide
CID 107570754
2-amino-N-(3-chlorophenyl)-2-ethylbutanamide
CID 79809226
methyl 2-[3-chloro-5-(trifluoromethyl)anilino]-2-oxoacetate
CID 116700746
4-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]-5-methylthiophene-2-carboxamide
CID 116698668
5-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]-4-methylpentanamide
CID 116699763
2-amino-2-ethyl-N-[2-fluoro-5-(trifluoromethyl)phenyl]butanamide
CID 79814613
7-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]heptanamide
CID 116699799
N-[3-chloro-5-(trifluoromethyl)phenyl]ethanesulfonamide
CID 116700910
N-[3-chloro-5-(trifluoromethyl)phenyl]-3-methyl-2-sulfanylbutanamide
CID 107036182

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]-2-ethylbutanamide?
The IUPAC name of 2-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]-2-ethylbutanamide (CID 116699866) is 2-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]-2-ethylbutanamide.
What is the SMILES notation for 2-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]-2-ethylbutanamide?
The canonical SMILES for 2-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]-2-ethylbutanamide is CCC(N)(CC)C(=O)Nc1cc(Cl)cc(C(F)(F)F)c1.
What is the InChIKey of 2-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]-2-ethylbutanamide?
The InChIKey is KIFBQZIDVMCAEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClF3N2O/c1-3-12(18,4-2)11(20)19-10-6-8(13(15,16)17)5-9(14)7-10/h5-7H,3-4,18H2,1-2H3,(H,19,20).
What are the key properties of 2-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]-2-ethylbutanamide?
2-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]-2-ethylbutanamide has a molecular weight of 308.73 g/mol, XLogP of 3.81, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]-2-ethylbutanamide is sourced from PubChem (CID 116699866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).