3-amino-N-[4-bromo-2-(trifluoromethyl)phenyl]-2,2,3-trimethylbutanamide

C14H18BrF3N2O — CID 65264263

IUPAC3-amino-N-[4-bromo-2-(trifluoromethyl)phenyl]-2,2,3-trimethylbutanamide
SMILESCC(C)(N)C(C)(C)C(=O)Nc1ccc(Br)cc1C(F)(F)F
InChIInChI=1S/C14H18BrF3N2O/c1-12(2,13(3,4)19)11(21)20-10-6-5-8(15)7-9(10)14(16,17)18/h5-7H,19H2,1-4H3,(H,20,21)
InChIKeyZLYVYZBRQXBLSW-UHFFFAOYSA-N
MW367.21 g/mol
LogP4.17
Rot. Bonds3

About 3-amino-N-[4-bromo-2-(trifluoromethyl)phenyl]-2,2,3-trimethylbutanamide

3-amino-N-[4-bromo-2-(trifluoromethyl)phenyl]-2,2,3-trimethylbutanamide (PubChem CID 65264263) has the molecular formula C14H18BrF3N2O and a molecular weight of 367.21 g/mol. Its IUPAC name is 3-amino-N-[4-bromo-2-(trifluoromethyl)phenyl]-2,2,3-trimethylbutanamide.

Molecular Properties

Compound Name3-amino-N-[4-bromo-2-(trifluoromethyl)phenyl]-2,2,3-trimethylbutanamide
PubChem CID65264263
Molecular FormulaC14H18BrF3N2O
Molecular Weight367.21 g/mol
Exact Mass366.06
IUPAC Name3-amino-N-[4-bromo-2-(trifluoromethyl)phenyl]-2,2,3-trimethylbutanamide
SMILESCC(C)(N)C(C)(C)C(=O)Nc1ccc(Br)cc1C(F)(F)F
InChIInChI=1S/C14H18BrF3N2O/c1-12(2,13(3,4)19)11(21)20-10-6-5-8(15)7-9(10)14(16,17)18/h5-7H,19H2,1-4H3,(H,20,21)
InChIKeyZLYVYZBRQXBLSW-UHFFFAOYSA-N
XLogP4.17
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.21
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-amino-N-[4-bromo-2-(trifluoromethyl)phenyl]propanamide
CID 54995593
2-bromo-N-[4-bromo-2-(trifluoromethyl)phenyl]propanamide
CID 107904014
1-[4-bromo-2-(trifluoromethyl)phenyl]-3-ethylurea
CID 113225657
N-[4-bromo-2-(trifluoromethyl)phenyl]-2,2-difluoroacetamide
CID 103515406
N-[4-bromo-2-(trifluoromethyl)phenyl]butanamide
CID 64590919
N-[4-bromo-2-(trifluoromethyl)phenyl]-2-chloroacetamide
CID 2779486
N-[4-bromo-2-(trifluoromethyl)phenyl]-3-(tert-butylamino)propanamide
CID 60851337
(2S)-2-amino-N-[4-bromo-2-(trifluoromethyl)phenyl]-4-methylpentanamide
CID 61178655
methyl 2-[4-bromo-2-(trifluoromethyl)anilino]acetate
CID 60790807
(Z)-4-[4-bromo-2-(trifluoromethyl)anilino]-2-methylbut-2-enoic acid
CID 103239531
3-[4-bromo-2-(trifluoromethyl)anilino]-2-methylpropanamide
CID 60790963
5-bromo-N-[4-bromo-2-(trifluoromethyl)phenyl]thiophene-3-carboxamide
CID 60792710

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[4-bromo-2-(trifluoromethyl)phenyl]-2,2,3-trimethylbutanamide?
The IUPAC name of 3-amino-N-[4-bromo-2-(trifluoromethyl)phenyl]-2,2,3-trimethylbutanamide (CID 65264263) is 3-amino-N-[4-bromo-2-(trifluoromethyl)phenyl]-2,2,3-trimethylbutanamide.
What is the SMILES notation for 3-amino-N-[4-bromo-2-(trifluoromethyl)phenyl]-2,2,3-trimethylbutanamide?
The canonical SMILES for 3-amino-N-[4-bromo-2-(trifluoromethyl)phenyl]-2,2,3-trimethylbutanamide is CC(C)(N)C(C)(C)C(=O)Nc1ccc(Br)cc1C(F)(F)F.
What is the InChIKey of 3-amino-N-[4-bromo-2-(trifluoromethyl)phenyl]-2,2,3-trimethylbutanamide?
The InChIKey is ZLYVYZBRQXBLSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrF3N2O/c1-12(2,13(3,4)19)11(21)20-10-6-5-8(15)7-9(10)14(16,17)18/h5-7H,19H2,1-4H3,(H,20,21).
What are the key properties of 3-amino-N-[4-bromo-2-(trifluoromethyl)phenyl]-2,2,3-trimethylbutanamide?
3-amino-N-[4-bromo-2-(trifluoromethyl)phenyl]-2,2,3-trimethylbutanamide has a molecular weight of 367.21 g/mol, XLogP of 4.17, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[4-bromo-2-(trifluoromethyl)phenyl]-2,2,3-trimethylbutanamide is sourced from PubChem (CID 65264263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).