2-bromo-N-(4-bromo-2-fluorophenyl)butanamide

C10H10Br2FNO — CID 62856454

IUPAC2-bromo-N-(4-bromo-2-fluorophenyl)butanamide
SMILESCCC(Br)C(=O)Nc1ccc(Br)cc1F
InChIInChI=1S/C10H10Br2FNO/c1-2-7(12)10(15)14-9-4-3-6(11)5-8(9)13/h3-5,7H,2H2,1H3,(H,14,15)
InChIKeyRROWPCUKVFWSDB-UHFFFAOYSA-N
MW339.00 g/mol
LogP3.70
Rot. Bonds3

About 2-bromo-N-(4-bromo-2-fluorophenyl)butanamide

2-bromo-N-(4-bromo-2-fluorophenyl)butanamide (PubChem CID 62856454) has the molecular formula C10H10Br2FNO and a molecular weight of 339.00 g/mol. Its IUPAC name is 2-bromo-N-(4-bromo-2-fluorophenyl)butanamide.

Molecular Properties

Compound Name2-bromo-N-(4-bromo-2-fluorophenyl)butanamide
PubChem CID62856454
Molecular FormulaC10H10Br2FNO
Molecular Weight339.00 g/mol
Exact Mass336.91
IUPAC Name2-bromo-N-(4-bromo-2-fluorophenyl)butanamide
SMILESCCC(Br)C(=O)Nc1ccc(Br)cc1F
InChIInChI=1S/C10H10Br2FNO/c1-2-7(12)10(15)14-9-4-3-6(11)5-8(9)13/h3-5,7H,2H2,1H3,(H,14,15)
InChIKeyRROWPCUKVFWSDB-UHFFFAOYSA-N
XLogP3.70
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.00
LogP ≤ 53.70
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-(4-bromo-2-fluorophenyl)-2-methylbutanamide
CID 4635921
2-bromo-N-(2,5-dibromophenyl)butanamide
CID 62856561
(2S)-2-amino-N-(4-bromo-2-fluorophenyl)-3-methylpentanamide
CID 61174208
2-amino-N-(4-bromo-2-fluorophenyl)propanamide
CID 24708230
2-bromo-N-[4-bromo-2-(trifluoromethoxy)phenyl]butanamide
CID 103193041
1-(4-bromo-2-fluorophenyl)-3-(1-hydroxybutan-2-yl)urea
CID 110890470
3-(4-bromo-2-fluoroanilino)-2-methyl-3-oxopropanoic acid
CID 114897183
(2R)-N-(4-bromo-2-fluorophenyl)-2-(4-methylphenoxy)butanamide
CID 9179669
N-(4-bromo-2-fluorophenyl)-2-(3,5-dimethylphenoxy)butanamide
CID 132656992
N-(4-bromo-2-fluorophenyl)-2-methoxy-2-phenylacetamide
CID 2956612
N-(4-bromo-2-fluorophenyl)-2-(butan-2-ylamino)acetamide
CID 54917740
N-(4-bromo-2-fluorophenyl)-3-methylbutanamide
CID 849082

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(4-bromo-2-fluorophenyl)butanamide?
The IUPAC name of 2-bromo-N-(4-bromo-2-fluorophenyl)butanamide (CID 62856454) is 2-bromo-N-(4-bromo-2-fluorophenyl)butanamide.
What is the SMILES notation for 2-bromo-N-(4-bromo-2-fluorophenyl)butanamide?
The canonical SMILES for 2-bromo-N-(4-bromo-2-fluorophenyl)butanamide is CCC(Br)C(=O)Nc1ccc(Br)cc1F.
What is the InChIKey of 2-bromo-N-(4-bromo-2-fluorophenyl)butanamide?
The InChIKey is RROWPCUKVFWSDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Br2FNO/c1-2-7(12)10(15)14-9-4-3-6(11)5-8(9)13/h3-5,7H,2H2,1H3,(H,14,15).
What are the key properties of 2-bromo-N-(4-bromo-2-fluorophenyl)butanamide?
2-bromo-N-(4-bromo-2-fluorophenyl)butanamide has a molecular weight of 339.00 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(4-bromo-2-fluorophenyl)butanamide is sourced from PubChem (CID 62856454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).