2-(4-bromo-2-fluorophenyl)-2-chloro-N-propan-2-ylacetamide

C11H12BrClFNO — CID 62226447

IUPAC2-(4-bromo-2-fluorophenyl)-2-chloro-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)C(Cl)c1ccc(Br)cc1F
InChIInChI=1S/C11H12BrClFNO/c1-6(2)15-11(16)10(13)8-4-3-7(12)5-9(8)14/h3-6,10H,1-2H3,(H,15,16)
InChIKeyRHJNFFPJLFLTER-UHFFFAOYSA-N
MW308.58 g/mol
LogP3.39
Rot. Bonds3

About 2-(4-bromo-2-fluorophenyl)-2-chloro-N-propan-2-ylacetamide

2-(4-bromo-2-fluorophenyl)-2-chloro-N-propan-2-ylacetamide (PubChem CID 62226447) has the molecular formula C11H12BrClFNO and a molecular weight of 308.58 g/mol. Its IUPAC name is 2-(4-bromo-2-fluorophenyl)-2-chloro-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(4-bromo-2-fluorophenyl)-2-chloro-N-propan-2-ylacetamide
PubChem CID62226447
Molecular FormulaC11H12BrClFNO
Molecular Weight308.58 g/mol
Exact Mass306.98
IUPAC Name2-(4-bromo-2-fluorophenyl)-2-chloro-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)C(Cl)c1ccc(Br)cc1F
InChIInChI=1S/C11H12BrClFNO/c1-6(2)15-11(16)10(13)8-4-3-7(12)5-9(8)14/h3-6,10H,1-2H3,(H,15,16)
InChIKeyRHJNFFPJLFLTER-UHFFFAOYSA-N
XLogP3.39
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 ≤ 53.39
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-(4-bromo-2-fluorophenyl)-N-tert-butyl-2-chloroacetamide
CID 62226278
2-(4-bromo-2-fluorophenyl)-2-chloro-1-piperidin-1-ylethanone
CID 62224634
2-(4-bromo-2-fluorophenyl)propanoic acid
CID 67119220
2-(4-bromo-2-fluorophenyl)-2-hydroxy-N-methylacetamide
CID 67223969
N-[(1S)-1-(4-bromo-2-fluorophenyl)ethyl]prop-2-enamide
CID 166408340
4-bromo-2-fluoro-1-propan-2-ylbenzene
CID 21051092
2-acetamido-2-(4-bromo-2-fluorophenyl)acetic acid
CID 63701357
2-chloro-2-(3-chloro-4-fluorophenyl)-N-propan-2-ylacetamide
CID 81166501
(1S)-1-(4-bromo-2-fluorophenyl)-2-methylpropan-1-ol
CID 129371245
2-(5-bromo-2-fluorophenyl)-2-chloro-N-cyclohexylacetamide
CID 62225718
2-chloro-2-(2,4-dimethoxyphenyl)-N-propan-2-ylacetamide
CID 55048004
2-[1-(4-bromo-2-fluorophenyl)ethylamino]-N-ethylacetamide
CID 82963648

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-fluorophenyl)-2-chloro-N-propan-2-ylacetamide?
The IUPAC name of 2-(4-bromo-2-fluorophenyl)-2-chloro-N-propan-2-ylacetamide (CID 62226447) is 2-(4-bromo-2-fluorophenyl)-2-chloro-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(4-bromo-2-fluorophenyl)-2-chloro-N-propan-2-ylacetamide?
The canonical SMILES for 2-(4-bromo-2-fluorophenyl)-2-chloro-N-propan-2-ylacetamide is CC(C)NC(=O)C(Cl)c1ccc(Br)cc1F.
What is the InChIKey of 2-(4-bromo-2-fluorophenyl)-2-chloro-N-propan-2-ylacetamide?
The InChIKey is RHJNFFPJLFLTER-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrClFNO/c1-6(2)15-11(16)10(13)8-4-3-7(12)5-9(8)14/h3-6,10H,1-2H3,(H,15,16).
What are the key properties of 2-(4-bromo-2-fluorophenyl)-2-chloro-N-propan-2-ylacetamide?
2-(4-bromo-2-fluorophenyl)-2-chloro-N-propan-2-ylacetamide has a molecular weight of 308.58 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-fluorophenyl)-2-chloro-N-propan-2-ylacetamide is sourced from PubChem (CID 62226447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).