N-(5-bromo-4-fluoro-2-methylphenyl)-3,4,4-trimethylpentanamide

C15H21BrFNO — CID 107592531

IUPACN-(5-bromo-4-fluoro-2-methylphenyl)-3,4,4-trimethylpentanamide
SMILESCc1cc(F)c(Br)cc1NC(=O)CC(C)C(C)(C)C
InChIInChI=1S/C15H21BrFNO/c1-9-6-12(17)11(16)8-13(9)18-14(19)7-10(2)15(3,4)5/h6,8,10H,7H2,1-5H3,(H,18,19)
InChIKeyPLCHEUJZSBGQOL-UHFFFAOYSA-N
MW330.24 g/mol
LogP4.91
Rot. Bonds3

About N-(5-bromo-4-fluoro-2-methylphenyl)-3,4,4-trimethylpentanamide

N-(5-bromo-4-fluoro-2-methylphenyl)-3,4,4-trimethylpentanamide (PubChem CID 107592531) has the molecular formula C15H21BrFNO and a molecular weight of 330.24 g/mol. Its IUPAC name is N-(5-bromo-4-fluoro-2-methylphenyl)-3,4,4-trimethylpentanamide.

Molecular Properties

Compound NameN-(5-bromo-4-fluoro-2-methylphenyl)-3,4,4-trimethylpentanamide
PubChem CID107592531
Molecular FormulaC15H21BrFNO
Molecular Weight330.24 g/mol
Exact Mass329.08
IUPAC NameN-(5-bromo-4-fluoro-2-methylphenyl)-3,4,4-trimethylpentanamide
SMILESCc1cc(F)c(Br)cc1NC(=O)CC(C)C(C)(C)C
InChIInChI=1S/C15H21BrFNO/c1-9-6-12(17)11(16)8-13(9)18-14(19)7-10(2)15(3,4)5/h6,8,10H,7H2,1-5H3,(H,18,19)
InChIKeyPLCHEUJZSBGQOL-UHFFFAOYSA-N
XLogP4.91
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.24
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(5-bromo-4-fluoro-2-methylphenyl)-2-(methylamino)acetamide
CID 107592352
2-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)acetamide
CID 107591747
4-amino-N-(5-bromo-4-fluoro-2-methylphenyl)butanamide
CID 107592166
2-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)-3-methylbutanamide
CID 107591742
N-(5-bromo-4-fluoro-2-methylphenyl)-2-cyanoacetamide
CID 103280880
N-(2-fluoro-4-sulfamoylphenyl)-3,4,4-trimethylpentanamide
CID 63821086
2-amino-N-(5-bromo-4-fluoro-2-methylphenyl)propanamide
CID 107592265
(2S)-2-amino-N-(5-bromo-4-fluoro-2-methylphenyl)propanamide
CID 107592355
N-(2-amino-4-bromophenyl)-3,4,4-trimethylpentanamide
CID 63832500
4-methyl-3-(3,4,4-trimethylpentanoylamino)benzoic acid
CID 63834626
N-(5-bromo-4-fluoro-2-methylphenyl)-5-chloropentanamide
CID 107591745
7-amino-N-(5-bromo-4-fluoro-2-methylphenyl)heptanamide
CID 107592189

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-4-fluoro-2-methylphenyl)-3,4,4-trimethylpentanamide?
The IUPAC name of N-(5-bromo-4-fluoro-2-methylphenyl)-3,4,4-trimethylpentanamide (CID 107592531) is N-(5-bromo-4-fluoro-2-methylphenyl)-3,4,4-trimethylpentanamide.
What is the SMILES notation for N-(5-bromo-4-fluoro-2-methylphenyl)-3,4,4-trimethylpentanamide?
The canonical SMILES for N-(5-bromo-4-fluoro-2-methylphenyl)-3,4,4-trimethylpentanamide is Cc1cc(F)c(Br)cc1NC(=O)CC(C)C(C)(C)C.
What is the InChIKey of N-(5-bromo-4-fluoro-2-methylphenyl)-3,4,4-trimethylpentanamide?
The InChIKey is PLCHEUJZSBGQOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrFNO/c1-9-6-12(17)11(16)8-13(9)18-14(19)7-10(2)15(3,4)5/h6,8,10H,7H2,1-5H3,(H,18,19).
What are the key properties of N-(5-bromo-4-fluoro-2-methylphenyl)-3,4,4-trimethylpentanamide?
N-(5-bromo-4-fluoro-2-methylphenyl)-3,4,4-trimethylpentanamide has a molecular weight of 330.24 g/mol, XLogP of 4.91, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-4-fluoro-2-methylphenyl)-3,4,4-trimethylpentanamide is sourced from PubChem (CID 107592531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).