N-(4-bromo-1-methoxybutan-2-yl)-2-(2,4-difluorophenyl)acetamide

C13H16BrF2NO2 — CID 114151318

IUPACN-(4-bromo-1-methoxybutan-2-yl)-2-(2,4-difluorophenyl)acetamide
SMILESCOCC(CCBr)NC(=O)Cc1ccc(F)cc1F
InChIInChI=1S/C13H16BrF2NO2/c1-19-8-11(4-5-14)17-13(18)6-9-2-3-10(15)7-12(9)16/h2-3,7,11H,4-6,8H2,1H3,(H,17,18)
InChIKeyRBDBVWXIARIUEV-UHFFFAOYSA-N
MW336.18 g/mol
LogP2.42
Rot. Bonds7

About N-(4-bromo-1-methoxybutan-2-yl)-2-(2,4-difluorophenyl)acetamide

N-(4-bromo-1-methoxybutan-2-yl)-2-(2,4-difluorophenyl)acetamide (PubChem CID 114151318) has the molecular formula C13H16BrF2NO2 and a molecular weight of 336.18 g/mol. Its IUPAC name is N-(4-bromo-1-methoxybutan-2-yl)-2-(2,4-difluorophenyl)acetamide.

Molecular Properties

Compound NameN-(4-bromo-1-methoxybutan-2-yl)-2-(2,4-difluorophenyl)acetamide
PubChem CID114151318
Molecular FormulaC13H16BrF2NO2
Molecular Weight336.18 g/mol
Exact Mass335.03
IUPAC NameN-(4-bromo-1-methoxybutan-2-yl)-2-(2,4-difluorophenyl)acetamide
SMILESCOCC(CCBr)NC(=O)Cc1ccc(F)cc1F
InChIInChI=1S/C13H16BrF2NO2/c1-19-8-11(4-5-14)17-13(18)6-9-2-3-10(15)7-12(9)16/h2-3,7,11H,4-6,8H2,1H3,(H,17,18)
InChIKeyRBDBVWXIARIUEV-UHFFFAOYSA-N
XLogP2.42
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.18
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-bromo-1-methoxybutan-2-yl)-2,5-difluorobenzamide
CID 106156307
N-(4-bromo-1-methoxybutan-2-yl)-5-fluoro-2-hydroxybenzamide
CID 106156181
N-(4-bromo-1-methoxybutan-2-yl)-3,4-difluorobenzamide
CID 114151343
N-(4-bromo-1-methoxybutan-2-yl)-2-(3,4-dimethylphenyl)acetamide
CID 114151246
N-(4-bromo-1-methoxybutan-2-yl)-2,5-difluorobenzenesulfonamide
CID 114151665
N-(1-bromo-3-methoxypropan-2-yl)-2-(4-fluorophenyl)acetamide
CID 106184175
N-(4-amino-1-methoxybutan-2-yl)-2-(2-fluorophenyl)acetamide
CID 106152498
2-(2-fluorophenyl)-N-(4-hydroxy-1-methoxybutan-2-yl)acetamide
CID 103799437
N-(4-bromo-1-methoxybutan-2-yl)-2-fluoro-5-methylbenzamide
CID 106156531
N-(4-bromo-1-methoxybutan-2-yl)-4-fluoro-3-methoxybenzamide
CID 106155995
N-(4-bromo-1-methoxybutan-2-yl)-3,4,5-trifluorobenzamide
CID 106156143
2-(2,4-difluorophenyl)sulfanyl-N-(4-hydroxy-1-methoxybutan-2-yl)acetamide
CID 103850779

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-1-methoxybutan-2-yl)-2-(2,4-difluorophenyl)acetamide?
The IUPAC name of N-(4-bromo-1-methoxybutan-2-yl)-2-(2,4-difluorophenyl)acetamide (CID 114151318) is N-(4-bromo-1-methoxybutan-2-yl)-2-(2,4-difluorophenyl)acetamide.
What is the SMILES notation for N-(4-bromo-1-methoxybutan-2-yl)-2-(2,4-difluorophenyl)acetamide?
The canonical SMILES for N-(4-bromo-1-methoxybutan-2-yl)-2-(2,4-difluorophenyl)acetamide is COCC(CCBr)NC(=O)Cc1ccc(F)cc1F.
What is the InChIKey of N-(4-bromo-1-methoxybutan-2-yl)-2-(2,4-difluorophenyl)acetamide?
The InChIKey is RBDBVWXIARIUEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrF2NO2/c1-19-8-11(4-5-14)17-13(18)6-9-2-3-10(15)7-12(9)16/h2-3,7,11H,4-6,8H2,1H3,(H,17,18).
What are the key properties of N-(4-bromo-1-methoxybutan-2-yl)-2-(2,4-difluorophenyl)acetamide?
N-(4-bromo-1-methoxybutan-2-yl)-2-(2,4-difluorophenyl)acetamide has a molecular weight of 336.18 g/mol, XLogP of 2.42, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-1-methoxybutan-2-yl)-2-(2,4-difluorophenyl)acetamide is sourced from PubChem (CID 114151318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).