N-(1-bromo-2-methylpropan-2-yl)-2-(2,3-difluorophenyl)acetamide

C12H14BrF2NO — CID 114308202

IUPACN-(1-bromo-2-methylpropan-2-yl)-2-(2,3-difluorophenyl)acetamide
SMILESCC(C)(CBr)NC(=O)Cc1cccc(F)c1F
InChIInChI=1S/C12H14BrF2NO/c1-12(2,7-13)16-10(17)6-8-4-3-5-9(14)11(8)15/h3-5H,6-7H2,1-2H3,(H,16,17)
InChIKeyJYCJOBKDHKDNIZ-UHFFFAOYSA-N
MW306.15 g/mol
LogP2.80
Rot. Bonds4

About N-(1-bromo-2-methylpropan-2-yl)-2-(2,3-difluorophenyl)acetamide

N-(1-bromo-2-methylpropan-2-yl)-2-(2,3-difluorophenyl)acetamide (PubChem CID 114308202) has the molecular formula C12H14BrF2NO and a molecular weight of 306.15 g/mol. Its IUPAC name is N-(1-bromo-2-methylpropan-2-yl)-2-(2,3-difluorophenyl)acetamide.

Molecular Properties

Compound NameN-(1-bromo-2-methylpropan-2-yl)-2-(2,3-difluorophenyl)acetamide
PubChem CID114308202
Molecular FormulaC12H14BrF2NO
Molecular Weight306.15 g/mol
Exact Mass305.02
IUPAC NameN-(1-bromo-2-methylpropan-2-yl)-2-(2,3-difluorophenyl)acetamide
SMILESCC(C)(CBr)NC(=O)Cc1cccc(F)c1F
InChIInChI=1S/C12H14BrF2NO/c1-12(2,7-13)16-10(17)6-8-4-3-5-9(14)11(8)15/h3-5H,6-7H2,1-2H3,(H,16,17)
InChIKeyJYCJOBKDHKDNIZ-UHFFFAOYSA-N
XLogP2.80
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.15
LogP ≤ 52.80
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-bromo-2-methylpropan-2-yl)-2-phenylacetamide
CID 114307896
N-(1-bromo-2-methylpropan-2-yl)-2-(3-methylphenyl)acetamide
CID 114307937
1-(2,3-difluorophenyl)-3-methyl-3-(methylamino)butan-2-one
CID 116566564
N-(1-bromo-2-methylpropan-2-yl)-3-(2-methylphenyl)propanamide
CID 114307883
N-(1-bromo-4-methylpentan-2-yl)-2-(2,3-difluorophenyl)acetamide
CID 114311830
2-(2,3-difluorophenyl)-N-(4-hydroxy-2,2-dimethylbutyl)acetamide
CID 103824976
2-(2,3-difluorophenyl)-N-[(2-hydroxyphenyl)methyl]acetamide
CID 115687726
N-(2-bromoprop-2-enyl)-2-(2,3-difluorophenyl)acetamide
CID 115686682
N-(5-chloro-2,2-dimethylpentyl)-2-(2,3-difluorophenyl)acetamide
CID 106144164
N-[[3-(bromomethyl)phenyl]methyl]-2-(2,3-difluorophenyl)acetamide
CID 114313198
2-(2,3-difluorophenyl)acetic acid;hydrochloride
CID 172702403
1-(2,3-difluorophenyl)-3-methoxy-3-methylbutan-2-one
CID 79202390

Frequently Asked Questions

What is the IUPAC name of N-(1-bromo-2-methylpropan-2-yl)-2-(2,3-difluorophenyl)acetamide?
The IUPAC name of N-(1-bromo-2-methylpropan-2-yl)-2-(2,3-difluorophenyl)acetamide (CID 114308202) is N-(1-bromo-2-methylpropan-2-yl)-2-(2,3-difluorophenyl)acetamide.
What is the SMILES notation for N-(1-bromo-2-methylpropan-2-yl)-2-(2,3-difluorophenyl)acetamide?
The canonical SMILES for N-(1-bromo-2-methylpropan-2-yl)-2-(2,3-difluorophenyl)acetamide is CC(C)(CBr)NC(=O)Cc1cccc(F)c1F.
What is the InChIKey of N-(1-bromo-2-methylpropan-2-yl)-2-(2,3-difluorophenyl)acetamide?
The InChIKey is JYCJOBKDHKDNIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrF2NO/c1-12(2,7-13)16-10(17)6-8-4-3-5-9(14)11(8)15/h3-5H,6-7H2,1-2H3,(H,16,17).
What are the key properties of N-(1-bromo-2-methylpropan-2-yl)-2-(2,3-difluorophenyl)acetamide?
N-(1-bromo-2-methylpropan-2-yl)-2-(2,3-difluorophenyl)acetamide has a molecular weight of 306.15 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bromo-2-methylpropan-2-yl)-2-(2,3-difluorophenyl)acetamide is sourced from PubChem (CID 114308202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).