2-bromo-N-[2-(difluoromethoxy)-5-methoxyphenyl]butanamide

C12H14BrF2NO3 — CID 62856668

IUPAC2-bromo-N-[2-(difluoromethoxy)-5-methoxyphenyl]butanamide
SMILESCCC(Br)C(=O)Nc1cc(OC)ccc1OC(F)F
InChIInChI=1S/C12H14BrF2NO3/c1-3-8(13)11(17)16-9-6-7(18-2)4-5-10(9)19-12(14)15/h4-6,8,12H,3H2,1-2H3,(H,16,17)
InChIKeyMFZXWLNDEAXLNV-UHFFFAOYSA-N
MW338.15 g/mol
LogP3.41
Rot. Bonds6

About 2-bromo-N-[2-(difluoromethoxy)-5-methoxyphenyl]butanamide

2-bromo-N-[2-(difluoromethoxy)-5-methoxyphenyl]butanamide (PubChem CID 62856668) has the molecular formula C12H14BrF2NO3 and a molecular weight of 338.15 g/mol. Its IUPAC name is 2-bromo-N-[2-(difluoromethoxy)-5-methoxyphenyl]butanamide.

Molecular Properties

Compound Name2-bromo-N-[2-(difluoromethoxy)-5-methoxyphenyl]butanamide
PubChem CID62856668
Molecular FormulaC12H14BrF2NO3
Molecular Weight338.15 g/mol
Exact Mass337.01
IUPAC Name2-bromo-N-[2-(difluoromethoxy)-5-methoxyphenyl]butanamide
SMILESCCC(Br)C(=O)Nc1cc(OC)ccc1OC(F)F
InChIInChI=1S/C12H14BrF2NO3/c1-3-8(13)11(17)16-9-6-7(18-2)4-5-10(9)19-12(14)15/h4-6,8,12H,3H2,1-2H3,(H,16,17)
InChIKeyMFZXWLNDEAXLNV-UHFFFAOYSA-N
XLogP3.41
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.15
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-bromo-N-[2-(difluoromethoxy)-5-methoxyphenyl]propanamide
CID 107903735
2-bromo-N-[2-(difluoromethoxy)-5-methoxyphenyl]-3-methylbutanamide
CID 43698620
N-[2-(difluoromethoxy)-5-methoxyphenyl]-2,2-dimethylpropanamide
CID 64593385
(2R)-2-amino-N-[2-(difluoromethoxy)-5-methoxyphenyl]-3,3-dimethylbutanamide
CID 103928752
N-[2-(difluoromethoxy)-5-methoxyphenyl]-2-(methylamino)acetamide;hydrochloride
CID 119715086
5-[2-(difluoromethoxy)-5-methoxyanilino]-5-oxopentanoic acid
CID 60940435
N-[2-(difluoromethoxy)-5-methoxyphenyl]piperidine-4-carboxamide
CID 43706019
(2R)-N-(2,5-dimethoxyphenyl)-2-(4-methoxyphenoxy)butanamide
CID 42082643
2-(cyclopropylamino)-N-[2-(difluoromethoxy)-5-methoxyphenyl]acetamide
CID 60841268
2-bromo-N-(3-methoxyphenyl)butanamide
CID 50742538
(2R)-N-(2,5-dimethoxyphenyl)-2-(3,4-dimethylphenoxy)butanamide
CID 28576208
2-[[2-(difluoromethoxy)-5-methoxyanilino]methyl]-2-methylbutan-1-ol
CID 81412901

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[2-(difluoromethoxy)-5-methoxyphenyl]butanamide?
The IUPAC name of 2-bromo-N-[2-(difluoromethoxy)-5-methoxyphenyl]butanamide (CID 62856668) is 2-bromo-N-[2-(difluoromethoxy)-5-methoxyphenyl]butanamide.
What is the SMILES notation for 2-bromo-N-[2-(difluoromethoxy)-5-methoxyphenyl]butanamide?
The canonical SMILES for 2-bromo-N-[2-(difluoromethoxy)-5-methoxyphenyl]butanamide is CCC(Br)C(=O)Nc1cc(OC)ccc1OC(F)F.
What is the InChIKey of 2-bromo-N-[2-(difluoromethoxy)-5-methoxyphenyl]butanamide?
The InChIKey is MFZXWLNDEAXLNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrF2NO3/c1-3-8(13)11(17)16-9-6-7(18-2)4-5-10(9)19-12(14)15/h4-6,8,12H,3H2,1-2H3,(H,16,17).
What are the key properties of 2-bromo-N-[2-(difluoromethoxy)-5-methoxyphenyl]butanamide?
2-bromo-N-[2-(difluoromethoxy)-5-methoxyphenyl]butanamide has a molecular weight of 338.15 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[2-(difluoromethoxy)-5-methoxyphenyl]butanamide is sourced from PubChem (CID 62856668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).