N-(4-bromo-2,5-difluorophenyl)-3-methyloxolane-2-carboxamide

C12H12BrF2NO2 — CID 103842465

IUPACN-(4-bromo-2,5-difluorophenyl)-3-methyloxolane-2-carboxamide
SMILESCC1CCOC1C(=O)Nc1cc(F)c(Br)cc1F
InChIInChI=1S/C12H12BrF2NO2/c1-6-2-3-18-11(6)12(17)16-10-5-8(14)7(13)4-9(10)15/h4-6,11H,2-3H2,1H3,(H,16,17)
InChIKeyIBVMFQXJVCBINH-UHFFFAOYSA-N
MW320.13 g/mol
LogP3.09
Rot. Bonds2

About N-(4-bromo-2,5-difluorophenyl)-3-methyloxolane-2-carboxamide

N-(4-bromo-2,5-difluorophenyl)-3-methyloxolane-2-carboxamide (PubChem CID 103842465) has the molecular formula C12H12BrF2NO2 and a molecular weight of 320.13 g/mol. Its IUPAC name is N-(4-bromo-2,5-difluorophenyl)-3-methyloxolane-2-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2,5-difluorophenyl)-3-methyloxolane-2-carboxamide
PubChem CID103842465
Molecular FormulaC12H12BrF2NO2
Molecular Weight320.13 g/mol
Exact Mass319.00
IUPAC NameN-(4-bromo-2,5-difluorophenyl)-3-methyloxolane-2-carboxamide
SMILESCC1CCOC1C(=O)Nc1cc(F)c(Br)cc1F
InChIInChI=1S/C12H12BrF2NO2/c1-6-2-3-18-11(6)12(17)16-10-5-8(14)7(13)4-9(10)15/h4-6,11H,2-3H2,1H3,(H,16,17)
InChIKeyIBVMFQXJVCBINH-UHFFFAOYSA-N
XLogP3.09
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.13
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-(2-fluoro-4-sulfamoylphenyl)-3-methyloxolane-2-carboxamide
CID 81434051
(2S,3R)-N-(5-bromo-1-methyl-4-oxo-3-pyridinyl)-3-methyloxolane-2-carboxamide
CID 97348864
N-(2-acetyl-5-fluorophenyl)-3-methyloxolane-2-carboxamide
CID 75503564
N-(2-bromo-3-pyridinyl)-3-methyloxolane-2-carboxamide
CID 103819174
N-(2-hydroxy-4-methylphenyl)-3-methyloxolane-2-carboxamide
CID 81426078
(2S,3R)-N-(5-fluoro-3-pyridinyl)-3-methyloxolane-2-carboxamide
CID 126793790
4-methoxy-2-[(3-methyloxolane-2-carbonyl)amino]benzoic acid
CID 115411107
N-(2-acetyl-3-methylphenyl)-3-methyloxolane-2-carboxamide
CID 91650588
N-(4-bromo-2,5-difluorophenyl)-4-methylpiperidine-2-carboxamide
CID 107611804
(2R,3R)-N-(3-acetamidophenyl)-3-methyloxolane-2-carboxamide
CID 124591887
2-[(5-bromo-2,4-difluorophenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 102852552
N-(2-cyanophenyl)-3-methyloxolane-2-carboxamide
CID 81468862

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2,5-difluorophenyl)-3-methyloxolane-2-carboxamide?
The IUPAC name of N-(4-bromo-2,5-difluorophenyl)-3-methyloxolane-2-carboxamide (CID 103842465) is N-(4-bromo-2,5-difluorophenyl)-3-methyloxolane-2-carboxamide.
What is the SMILES notation for N-(4-bromo-2,5-difluorophenyl)-3-methyloxolane-2-carboxamide?
The canonical SMILES for N-(4-bromo-2,5-difluorophenyl)-3-methyloxolane-2-carboxamide is CC1CCOC1C(=O)Nc1cc(F)c(Br)cc1F.
What is the InChIKey of N-(4-bromo-2,5-difluorophenyl)-3-methyloxolane-2-carboxamide?
The InChIKey is IBVMFQXJVCBINH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrF2NO2/c1-6-2-3-18-11(6)12(17)16-10-5-8(14)7(13)4-9(10)15/h4-6,11H,2-3H2,1H3,(H,16,17).
What are the key properties of N-(4-bromo-2,5-difluorophenyl)-3-methyloxolane-2-carboxamide?
N-(4-bromo-2,5-difluorophenyl)-3-methyloxolane-2-carboxamide has a molecular weight of 320.13 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2,5-difluorophenyl)-3-methyloxolane-2-carboxamide is sourced from PubChem (CID 103842465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).