5-amino-5-(3-bromo-4-fluorophenyl)-3,3-dimethylpentanamide

C13H18BrFN2O — CID 79735685

IUPAC5-amino-5-(3-bromo-4-fluorophenyl)-3,3-dimethylpentanamide
SMILESCC(C)(CC(N)=O)CC(N)c1ccc(F)c(Br)c1
InChIInChI=1S/C13H18BrFN2O/c1-13(2,7-12(17)18)6-11(16)8-3-4-10(15)9(14)5-8/h3-5,11H,6-7,16H2,1-2H3,(H2,17,18)
InChIKeyQEJKKLXXBLNIMJ-UHFFFAOYSA-N
MW317.20 g/mol
LogP2.88
Rot. Bonds5

About 5-amino-5-(3-bromo-4-fluorophenyl)-3,3-dimethylpentanamide

5-amino-5-(3-bromo-4-fluorophenyl)-3,3-dimethylpentanamide (PubChem CID 79735685) has the molecular formula C13H18BrFN2O and a molecular weight of 317.20 g/mol. Its IUPAC name is 5-amino-5-(3-bromo-4-fluorophenyl)-3,3-dimethylpentanamide.

Molecular Properties

Compound Name5-amino-5-(3-bromo-4-fluorophenyl)-3,3-dimethylpentanamide
PubChem CID79735685
Molecular FormulaC13H18BrFN2O
Molecular Weight317.20 g/mol
Exact Mass316.06
IUPAC Name5-amino-5-(3-bromo-4-fluorophenyl)-3,3-dimethylpentanamide
SMILESCC(C)(CC(N)=O)CC(N)c1ccc(F)c(Br)c1
InChIInChI=1S/C13H18BrFN2O/c1-13(2,7-12(17)18)6-11(16)8-3-4-10(15)9(14)5-8/h3-5,11H,6-7,16H2,1-2H3,(H2,17,18)
InChIKeyQEJKKLXXBLNIMJ-UHFFFAOYSA-N
XLogP2.88
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.20
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-amino-5-(3-bromo-4-fluorophenyl)-3,3-dimethylpentanoic acid
CID 79735686
4-amino-4-(3-bromo-4-fluorophenyl)-2,2-dimethylbutanamide
CID 79736256
4-amino-4-(3-bromo-4-fluorophenyl)-2,2-dimethylbutanoic acid
CID 79737356
5-amino-5-(3-fluoro-4-methoxyphenyl)-3,3-dimethylpentanamide
CID 62934355
5-amino-3,3-dimethyl-5-phenylpentanamide
CID 62933322
3-amino-3-(3-bromo-4-fluorophenyl)propan-1-ol;hydrochloride
CID 170874533
5-amino-5-(3-bromo-4-fluorophenyl)pentanoic acid
CID 79736889
ethyl 4-amino-4-(3-bromo-4-fluorophenyl)butanoate
CID 79735551
(1R)-1-(3-bromo-4-fluorophenyl)butan-1-amine
CID 79021010
1-(3-bromo-4-fluorophenyl)butan-1-amine
CID 79016413
(1S)-1-(3-bromo-4-fluorophenyl)butan-1-amine
CID 79020953
(1S)-1-(3-bromo-4-fluorophenyl)pentan-1-amine
CID 146013246

Frequently Asked Questions

What is the IUPAC name of 5-amino-5-(3-bromo-4-fluorophenyl)-3,3-dimethylpentanamide?
The IUPAC name of 5-amino-5-(3-bromo-4-fluorophenyl)-3,3-dimethylpentanamide (CID 79735685) is 5-amino-5-(3-bromo-4-fluorophenyl)-3,3-dimethylpentanamide.
What is the SMILES notation for 5-amino-5-(3-bromo-4-fluorophenyl)-3,3-dimethylpentanamide?
The canonical SMILES for 5-amino-5-(3-bromo-4-fluorophenyl)-3,3-dimethylpentanamide is CC(C)(CC(N)=O)CC(N)c1ccc(F)c(Br)c1.
What is the InChIKey of 5-amino-5-(3-bromo-4-fluorophenyl)-3,3-dimethylpentanamide?
The InChIKey is QEJKKLXXBLNIMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrFN2O/c1-13(2,7-12(17)18)6-11(16)8-3-4-10(15)9(14)5-8/h3-5,11H,6-7,16H2,1-2H3,(H2,17,18).
What are the key properties of 5-amino-5-(3-bromo-4-fluorophenyl)-3,3-dimethylpentanamide?
5-amino-5-(3-bromo-4-fluorophenyl)-3,3-dimethylpentanamide has a molecular weight of 317.20 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-5-(3-bromo-4-fluorophenyl)-3,3-dimethylpentanamide is sourced from PubChem (CID 79735685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).