2-bromo-N-(1-chloro-2-methylpropan-2-yl)-3-fluorobenzamide

C11H12BrClFNO — CID 114295348

IUPAC2-bromo-N-(1-chloro-2-methylpropan-2-yl)-3-fluorobenzamide
SMILESCC(C)(CCl)NC(=O)c1cccc(F)c1Br
InChIInChI=1S/C11H12BrClFNO/c1-11(2,6-13)15-10(16)7-4-3-5-8(14)9(7)12/h3-5H,6H2,1-2H3,(H,15,16)
InChIKeyYKCUWJSJQFPRRH-UHFFFAOYSA-N
MW308.58 g/mol
LogP3.34
Rot. Bonds3

About 2-bromo-N-(1-chloro-2-methylpropan-2-yl)-3-fluorobenzamide

2-bromo-N-(1-chloro-2-methylpropan-2-yl)-3-fluorobenzamide (PubChem CID 114295348) has the molecular formula C11H12BrClFNO and a molecular weight of 308.58 g/mol. Its IUPAC name is 2-bromo-N-(1-chloro-2-methylpropan-2-yl)-3-fluorobenzamide.

Molecular Properties

Compound Name2-bromo-N-(1-chloro-2-methylpropan-2-yl)-3-fluorobenzamide
PubChem CID114295348
Molecular FormulaC11H12BrClFNO
Molecular Weight308.58 g/mol
Exact Mass306.98
IUPAC Name2-bromo-N-(1-chloro-2-methylpropan-2-yl)-3-fluorobenzamide
SMILESCC(C)(CCl)NC(=O)c1cccc(F)c1Br
InChIInChI=1S/C11H12BrClFNO/c1-11(2,6-13)15-10(16)7-4-3-5-8(14)9(7)12/h3-5H,6H2,1-2H3,(H,15,16)
InChIKeyYKCUWJSJQFPRRH-UHFFFAOYSA-N
XLogP3.34
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.58
LogP ≤ 53.34
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

2-bromo-3-fluoro-N-(3-hydroxy-2,2-dimethylpropyl)benzamide
CID 115360486
N-(1-chloro-2-methylpropan-2-yl)-2-fluoro-5-(trifluoromethyl)benzamide
CID 113271226
N-(1-chloro-2-methylpropan-2-yl)-2,6-dihydroxybenzamide
CID 107691058
2-fluoro-N-(2,4,4-trimethylpentan-2-yl)benzamide
CID 1241760
N-[1-chloro-2-(chloromethyl)butan-2-yl]-2,3-difluorobenzamide
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N-(1-chloro-2-methylbutan-2-yl)-2-fluorobenzamide
CID 114303803
2-bromo-3-fluoro-N-(5-hydroxypentyl)benzamide
CID 107317884
2-bromo-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-fluorobenzamide
CID 106143245
1-(2-bromo-3-fluorophenyl)-3-chloropropan-1-one
CID 118841332
4-bromo-N-(1-chloro-2-methylpropan-2-yl)benzamide
CID 114295185
2,4-dichloro-N-(1-chloro-2-methylpropan-2-yl)benzamide
CID 114295303
N-[(2R)-1-aminopropan-2-yl]-2-bromo-3-fluorobenzamide
CID 104877025

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(1-chloro-2-methylpropan-2-yl)-3-fluorobenzamide?
The IUPAC name of 2-bromo-N-(1-chloro-2-methylpropan-2-yl)-3-fluorobenzamide (CID 114295348) is 2-bromo-N-(1-chloro-2-methylpropan-2-yl)-3-fluorobenzamide.
What is the SMILES notation for 2-bromo-N-(1-chloro-2-methylpropan-2-yl)-3-fluorobenzamide?
The canonical SMILES for 2-bromo-N-(1-chloro-2-methylpropan-2-yl)-3-fluorobenzamide is CC(C)(CCl)NC(=O)c1cccc(F)c1Br.
What is the InChIKey of 2-bromo-N-(1-chloro-2-methylpropan-2-yl)-3-fluorobenzamide?
The InChIKey is YKCUWJSJQFPRRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrClFNO/c1-11(2,6-13)15-10(16)7-4-3-5-8(14)9(7)12/h3-5H,6H2,1-2H3,(H,15,16).
What are the key properties of 2-bromo-N-(1-chloro-2-methylpropan-2-yl)-3-fluorobenzamide?
2-bromo-N-(1-chloro-2-methylpropan-2-yl)-3-fluorobenzamide has a molecular weight of 308.58 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(1-chloro-2-methylpropan-2-yl)-3-fluorobenzamide is sourced from PubChem (CID 114295348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).