N-(1-bromo-4-methylpentan-2-yl)-2-(4-fluorophenyl)acetamide

C14H19BrFNO — CID 113275009

IUPACN-(1-bromo-4-methylpentan-2-yl)-2-(4-fluorophenyl)acetamide
SMILESCC(C)CC(CBr)NC(=O)Cc1ccc(F)cc1
InChIInChI=1S/C14H19BrFNO/c1-10(2)7-13(9-15)17-14(18)8-11-3-5-12(16)6-4-11/h3-6,10,13H,7-9H2,1-2H3,(H,17,18)
InChIKeyKZMLEYNODVKIHZ-UHFFFAOYSA-N
MW316.21 g/mol
LogP3.29
Rot. Bonds6

About N-(1-bromo-4-methylpentan-2-yl)-2-(4-fluorophenyl)acetamide

N-(1-bromo-4-methylpentan-2-yl)-2-(4-fluorophenyl)acetamide (PubChem CID 113275009) has the molecular formula C14H19BrFNO and a molecular weight of 316.21 g/mol. Its IUPAC name is N-(1-bromo-4-methylpentan-2-yl)-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-(1-bromo-4-methylpentan-2-yl)-2-(4-fluorophenyl)acetamide
PubChem CID113275009
Molecular FormulaC14H19BrFNO
Molecular Weight316.21 g/mol
Exact Mass315.06
IUPAC NameN-(1-bromo-4-methylpentan-2-yl)-2-(4-fluorophenyl)acetamide
SMILESCC(C)CC(CBr)NC(=O)Cc1ccc(F)cc1
InChIInChI=1S/C14H19BrFNO/c1-10(2)7-13(9-15)17-14(18)8-11-3-5-12(16)6-4-11/h3-6,10,13H,7-9H2,1-2H3,(H,17,18)
InChIKeyKZMLEYNODVKIHZ-UHFFFAOYSA-N
XLogP3.29
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.21
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(1-amino-4-methylpentan-2-yl)-2-(4-fluorophenyl)acetamide
CID 63754538
N-(1-bromo-4-methylpentan-2-yl)-2-(4-methoxyphenyl)acetamide
CID 114311652
N-(1-bromo-3-methoxypropan-2-yl)-2-(4-fluorophenyl)acetamide
CID 106184175
2-(4-fluorophenyl)-N-[(1R)-3-methyl-1-phenylbutyl]acetamide
CID 92738396
N-(1-bromo-4-methylpentan-2-yl)-2-(2,3-difluorophenyl)acetamide
CID 114311830
N-[(1R)-1-cyano-3-methylbutyl]-2-(4-fluorophenyl)acetamide
CID 94689384
2-(4-fluorophenyl)-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 4878219
N-(1-aminobutan-2-yl)-2-(4-fluorophenyl)acetamide
CID 63753722
N-(3-bromo-2-methylpropyl)-2-(4-fluorophenyl)acetamide
CID 114313529
2-(4-fluorophenyl)-N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]acetamide
CID 110351359
N-[(2S)-1-aminopropan-2-yl]-2-(4-fluorophenyl)acetamide;hydrochloride
CID 120506260
N-(1-bromobutan-2-yl)-2-(4-methylphenyl)acetamide
CID 114307759

Frequently Asked Questions

What is the IUPAC name of N-(1-bromo-4-methylpentan-2-yl)-2-(4-fluorophenyl)acetamide?
The IUPAC name of N-(1-bromo-4-methylpentan-2-yl)-2-(4-fluorophenyl)acetamide (CID 113275009) is N-(1-bromo-4-methylpentan-2-yl)-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for N-(1-bromo-4-methylpentan-2-yl)-2-(4-fluorophenyl)acetamide?
The canonical SMILES for N-(1-bromo-4-methylpentan-2-yl)-2-(4-fluorophenyl)acetamide is CC(C)CC(CBr)NC(=O)Cc1ccc(F)cc1.
What is the InChIKey of N-(1-bromo-4-methylpentan-2-yl)-2-(4-fluorophenyl)acetamide?
The InChIKey is KZMLEYNODVKIHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrFNO/c1-10(2)7-13(9-15)17-14(18)8-11-3-5-12(16)6-4-11/h3-6,10,13H,7-9H2,1-2H3,(H,17,18).
What are the key properties of N-(1-bromo-4-methylpentan-2-yl)-2-(4-fluorophenyl)acetamide?
N-(1-bromo-4-methylpentan-2-yl)-2-(4-fluorophenyl)acetamide has a molecular weight of 316.21 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bromo-4-methylpentan-2-yl)-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 113275009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).