N-(4-bromo-2-fluorophenyl)-2-methylpentanamide

C12H15BrFNO — CID 2905513

IUPACN-(4-bromo-2-fluorophenyl)-2-methylpentanamide
SMILESCCCC(C)C(=O)Nc1ccc(Br)cc1F
InChIInChI=1S/C12H15BrFNO/c1-3-4-8(2)12(16)15-11-6-5-9(13)7-10(11)14/h5-8H,3-4H2,1-2H3,(H,15,16)
InChIKeyLYOIORWCXMJPHK-UHFFFAOYSA-N
MW288.16 g/mol
LogP3.96
Rot. Bonds4

About N-(4-bromo-2-fluorophenyl)-2-methylpentanamide

N-(4-bromo-2-fluorophenyl)-2-methylpentanamide (PubChem CID 2905513) has the molecular formula C12H15BrFNO and a molecular weight of 288.16 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-2-methylpentanamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-2-methylpentanamide
PubChem CID2905513
Molecular FormulaC12H15BrFNO
Molecular Weight288.16 g/mol
Exact Mass287.03
IUPAC NameN-(4-bromo-2-fluorophenyl)-2-methylpentanamide
SMILESCCCC(C)C(=O)Nc1ccc(Br)cc1F
InChIInChI=1S/C12H15BrFNO/c1-3-4-8(2)12(16)15-11-6-5-9(13)7-10(11)14/h5-8H,3-4H2,1-2H3,(H,15,16)
InChIKeyLYOIORWCXMJPHK-UHFFFAOYSA-N
XLogP3.96
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.16
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4'-Bromoacetanilide
CID 7683
2-Butenamide, N-(4-bromophenyl)-3-methyl-
CID 532095
N-(3-Bromophenyl)acetamide
CID 12123
N-(4-Bromophenyl)-2-iodoacetamide
CID 28665
n-(4-Bromophenyl)prop-2-enamide
CID 263609
3'-Bromopropionanilide
CID 806279
N-(4-Bromo-2-methylphenyl)acetamide
CID 222277
N-(4-Bromophenyl)-2,2-dimethylpropanamide
CID 520094
Propanamide, N-(4-bromophenyl)-2-methyl-
CID 532135
1-(4-Bromophenyl)-4-methylpiperidine-2,6-dione
CID 2732331
N-(4-bromo-2,6-difluorophenyl)acetamide
CID 2804166
N-(2-fluorophenyl)cyclopentanecarboxamide
CID 533294

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-2-methylpentanamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-2-methylpentanamide (CID 2905513) is N-(4-bromo-2-fluorophenyl)-2-methylpentanamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-2-methylpentanamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-2-methylpentanamide is CCCC(C)C(=O)Nc1ccc(Br)cc1F.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-2-methylpentanamide?
The InChIKey is LYOIORWCXMJPHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrFNO/c1-3-4-8(2)12(16)15-11-6-5-9(13)7-10(11)14/h5-8H,3-4H2,1-2H3,(H,15,16).
What are the key properties of N-(4-bromo-2-fluorophenyl)-2-methylpentanamide?
N-(4-bromo-2-fluorophenyl)-2-methylpentanamide has a molecular weight of 288.16 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)-2-methylpentanamide is sourced from PubChem (CID 2905513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).