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

C11H12BrF2NO3 — CID 107903735

IUPAC2-bromo-N-[2-(difluoromethoxy)-5-methoxyphenyl]propanamide
SMILESCOc1ccc(OC(F)F)c(NC(=O)C(C)Br)c1
InChIInChI=1S/C11H12BrF2NO3/c1-6(12)10(16)15-8-5-7(17-2)3-4-9(8)18-11(13)14/h3-6,11H,1-2H3,(H,15,16)
InChIKeyLYPDMTKIUTYXRK-UHFFFAOYSA-N
MW324.12 g/mol
LogP3.02
Rot. Bonds5

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

2-bromo-N-[2-(difluoromethoxy)-5-methoxyphenyl]propanamide (PubChem CID 107903735) has the molecular formula C11H12BrF2NO3 and a molecular weight of 324.12 g/mol. Its IUPAC name is 2-bromo-N-[2-(difluoromethoxy)-5-methoxyphenyl]propanamide.

Molecular Properties

Compound Name2-bromo-N-[2-(difluoromethoxy)-5-methoxyphenyl]propanamide
PubChem CID107903735
Molecular FormulaC11H12BrF2NO3
Molecular Weight324.12 g/mol
Exact Mass323.00
IUPAC Name2-bromo-N-[2-(difluoromethoxy)-5-methoxyphenyl]propanamide
SMILESCOc1ccc(OC(F)F)c(NC(=O)C(C)Br)c1
InChIInChI=1S/C11H12BrF2NO3/c1-6(12)10(16)15-8-5-7(17-2)3-4-9(8)18-11(13)14/h3-6,11H,1-2H3,(H,15,16)
InChIKeyLYPDMTKIUTYXRK-UHFFFAOYSA-N
XLogP3.02
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.12
LogP ≤ 53.02
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]-3-methylbutanamide
CID 43698620
2-bromo-N-[2-(difluoromethoxy)-5-methoxyphenyl]butanamide
CID 62856668
(2R)-2-amino-N-[2-(difluoromethoxy)-5-methoxyphenyl]-3,3-dimethylbutanamide
CID 103928752
N-[2-(difluoromethoxy)-5-methoxyphenyl]-2,2-dimethylpropanamide
CID 64593385
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
2-(cyclopropylamino)-N-[2-(difluoromethoxy)-5-methoxyphenyl]acetamide
CID 60841268
3-(2-bromopropanoylamino)-4-methoxy-N-(4-methoxyphenyl)benzamide
CID 118878020
N-(2,5-dimethoxyphenyl)-2-(3-fluorophenoxy)propanamide
CID 78762135
2-(difluoromethoxy)-5-methoxy-N-(2-methylpropyl)aniline
CID 43699541
(2R)-N-(2,5-dimethoxyphenyl)-2-(3,4-dimethylphenoxy)propanamide
CID 890330

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[2-(difluoromethoxy)-5-methoxyphenyl]propanamide?
The IUPAC name of 2-bromo-N-[2-(difluoromethoxy)-5-methoxyphenyl]propanamide (CID 107903735) is 2-bromo-N-[2-(difluoromethoxy)-5-methoxyphenyl]propanamide.
What is the SMILES notation for 2-bromo-N-[2-(difluoromethoxy)-5-methoxyphenyl]propanamide?
The canonical SMILES for 2-bromo-N-[2-(difluoromethoxy)-5-methoxyphenyl]propanamide is COc1ccc(OC(F)F)c(NC(=O)C(C)Br)c1.
What is the InChIKey of 2-bromo-N-[2-(difluoromethoxy)-5-methoxyphenyl]propanamide?
The InChIKey is LYPDMTKIUTYXRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrF2NO3/c1-6(12)10(16)15-8-5-7(17-2)3-4-9(8)18-11(13)14/h3-6,11H,1-2H3,(H,15,16).
What are the key properties of 2-bromo-N-[2-(difluoromethoxy)-5-methoxyphenyl]propanamide?
2-bromo-N-[2-(difluoromethoxy)-5-methoxyphenyl]propanamide has a molecular weight of 324.12 g/mol, XLogP of 3.02, 5 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]propanamide is sourced from PubChem (CID 107903735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).