N-[2-(4-bromo-2-fluorophenyl)propan-2-yl]-2-chloroacetamide

C11H12BrClFNO — CID 166431442

IUPACN-[2-(4-bromo-2-fluorophenyl)propan-2-yl]-2-chloroacetamide
SMILESCC(C)(NC(=O)CCl)c1ccc(Br)cc1F
InChIInChI=1S/C11H12BrClFNO/c1-11(2,15-10(16)6-13)8-4-3-7(12)5-9(8)14/h3-5H,6H2,1-2H3,(H,15,16)
InChIKeyBOOIWZGGXAHIAB-UHFFFAOYSA-N
MW308.58 g/mol
LogP3.18
Rot. Bonds3

About N-[2-(4-bromo-2-fluorophenyl)propan-2-yl]-2-chloroacetamide

N-[2-(4-bromo-2-fluorophenyl)propan-2-yl]-2-chloroacetamide (PubChem CID 166431442) has the molecular formula C11H12BrClFNO and a molecular weight of 308.58 g/mol. Its IUPAC name is N-[2-(4-bromo-2-fluorophenyl)propan-2-yl]-2-chloroacetamide.

Molecular Properties

Compound NameN-[2-(4-bromo-2-fluorophenyl)propan-2-yl]-2-chloroacetamide
PubChem CID166431442
Molecular FormulaC11H12BrClFNO
Molecular Weight308.58 g/mol
Exact Mass306.98
IUPAC NameN-[2-(4-bromo-2-fluorophenyl)propan-2-yl]-2-chloroacetamide
SMILESCC(C)(NC(=O)CCl)c1ccc(Br)cc1F
InChIInChI=1S/C11H12BrClFNO/c1-11(2,15-10(16)6-13)8-4-3-7(12)5-9(8)14/h3-5H,6H2,1-2H3,(H,15,16)
InChIKeyBOOIWZGGXAHIAB-UHFFFAOYSA-N
XLogP3.18
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 ≤ 53.18
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-[2-(5-bromo-2-fluorophenyl)-3,3-difluoro-4-hydroxybutan-2-yl]-2-chloroacetamide
CID 66665738
N-[2-(5-bromo-2-fluorophenyl)-1,3-dihydroxypropan-2-yl]-2-chloroacetamide
CID 66665606
N-[2-(6-bromo-2-methyl-3-pyridinyl)propan-2-yl]-2-chloroacetamide
CID 169150809
2-(4-bromo-2-fluorophenyl)-2-(propan-2-ylamino)propanoic acid
CID 82966689
4-(4-bromo-2-fluorophenyl)-4-hydroxypentanoic acid
CID 82972821
2-(2-azidoethylamino)-2-(4-bromo-2-fluorophenyl)propanoic acid
CID 82967414
methyl 4-amino-3-(4-bromo-2-fluorophenyl)-3,4-dimethylpentanoate
CID 82973423
2-(2-azidoethylamino)-2-(4-bromo-2-fluorophenyl)propanamide
CID 82967722
methyl 3-(4-bromo-2-fluorophenyl)-2-ethyl-3-hydroxybutanoate
CID 82972914
2-(3-bromoanilino)-2-(4-bromo-2-fluorophenyl)propanoic acid
CID 82955551
2-(4-bromo-2-fluorophenyl)-1-(ethylamino)propan-2-ol
CID 82973789
4-amino-3-(4-bromo-2-fluorophenyl)-3-methylbutanoic acid
CID 82972862

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromo-2-fluorophenyl)propan-2-yl]-2-chloroacetamide?
The IUPAC name of N-[2-(4-bromo-2-fluorophenyl)propan-2-yl]-2-chloroacetamide (CID 166431442) is N-[2-(4-bromo-2-fluorophenyl)propan-2-yl]-2-chloroacetamide.
What is the SMILES notation for N-[2-(4-bromo-2-fluorophenyl)propan-2-yl]-2-chloroacetamide?
The canonical SMILES for N-[2-(4-bromo-2-fluorophenyl)propan-2-yl]-2-chloroacetamide is CC(C)(NC(=O)CCl)c1ccc(Br)cc1F.
What is the InChIKey of N-[2-(4-bromo-2-fluorophenyl)propan-2-yl]-2-chloroacetamide?
The InChIKey is BOOIWZGGXAHIAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrClFNO/c1-11(2,15-10(16)6-13)8-4-3-7(12)5-9(8)14/h3-5H,6H2,1-2H3,(H,15,16).
What are the key properties of N-[2-(4-bromo-2-fluorophenyl)propan-2-yl]-2-chloroacetamide?
N-[2-(4-bromo-2-fluorophenyl)propan-2-yl]-2-chloroacetamide has a molecular weight of 308.58 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromo-2-fluorophenyl)propan-2-yl]-2-chloroacetamide is sourced from PubChem (CID 166431442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).