N-(2-bromo-6-fluoro-3-methylphenyl)oxolane-2-carboxamide

C12H13BrFNO2 — CID 122145963

IUPACN-(2-bromo-6-fluoro-3-methylphenyl)oxolane-2-carboxamide
SMILESCc1ccc(F)c(NC(=O)C2CCCO2)c1Br
InChIInChI=1S/C12H13BrFNO2/c1-7-4-5-8(14)11(10(7)13)15-12(16)9-3-2-6-17-9/h4-5,9H,2-3,6H2,1H3,(H,15,16)
InChIKeyXPGWAGIQPYBYIU-UHFFFAOYSA-N
MW302.14 g/mol
LogP3.01
Rot. Bonds2

About N-(2-bromo-6-fluoro-3-methylphenyl)oxolane-2-carboxamide

N-(2-bromo-6-fluoro-3-methylphenyl)oxolane-2-carboxamide (PubChem CID 122145963) has the molecular formula C12H13BrFNO2 and a molecular weight of 302.14 g/mol. Its IUPAC name is N-(2-bromo-6-fluoro-3-methylphenyl)oxolane-2-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-6-fluoro-3-methylphenyl)oxolane-2-carboxamide
PubChem CID122145963
Molecular FormulaC12H13BrFNO2
Molecular Weight302.14 g/mol
Exact Mass301.01
IUPAC NameN-(2-bromo-6-fluoro-3-methylphenyl)oxolane-2-carboxamide
SMILESCc1ccc(F)c(NC(=O)C2CCCO2)c1Br
InChIInChI=1S/C12H13BrFNO2/c1-7-4-5-8(14)11(10(7)13)15-12(16)9-3-2-6-17-9/h4-5,9H,2-3,6H2,1H3,(H,15,16)
InChIKeyXPGWAGIQPYBYIU-UHFFFAOYSA-N
XLogP3.01
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.14
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,6-dimethylphenyl)oxolane-2-carboxamide
CID 3155119
N-(3-fluoro-4-methylphenyl)oxane-2-carboxamide
CID 155941835
(2R)-N-(4-bromo-3,5-dimethylphenyl)oxolane-2-carboxamide
CID 103582033
(2R)-N-(5-bromo-2-methylphenyl)oxolane-2-carboxamide
CID 103849959
N-(5-bromo-2-fluorophenyl)oxolane-2-carboxamide
CID 110779487
N-(4-chloro-2-methylphenyl)oxolane-2-carboxamide
CID 42906730
methyl 3-chloro-6-fluoro-2-[[(2R)-oxolane-2-carbonyl]amino]benzoate
CID 126833169
(2R)-N-(2-ethyl-6-methylphenyl)oxolane-2-carboxamide
CID 887643
N-(2-amino-6-fluorophenyl)oxane-2-carboxamide
CID 81314544
(2S)-N-(3,5-dimethylphenyl)oxolane-2-carboxamide
CID 7923565
N-(2-bromo-5-chlorophenyl)oxolane-2-carboxamide
CID 81272173
4-fluoro-3-[[(2R)-oxolane-2-carbonyl]amino]benzoic acid
CID 104855570

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-6-fluoro-3-methylphenyl)oxolane-2-carboxamide?
The IUPAC name of N-(2-bromo-6-fluoro-3-methylphenyl)oxolane-2-carboxamide (CID 122145963) is N-(2-bromo-6-fluoro-3-methylphenyl)oxolane-2-carboxamide.
What is the SMILES notation for N-(2-bromo-6-fluoro-3-methylphenyl)oxolane-2-carboxamide?
The canonical SMILES for N-(2-bromo-6-fluoro-3-methylphenyl)oxolane-2-carboxamide is Cc1ccc(F)c(NC(=O)C2CCCO2)c1Br.
What is the InChIKey of N-(2-bromo-6-fluoro-3-methylphenyl)oxolane-2-carboxamide?
The InChIKey is XPGWAGIQPYBYIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrFNO2/c1-7-4-5-8(14)11(10(7)13)15-12(16)9-3-2-6-17-9/h4-5,9H,2-3,6H2,1H3,(H,15,16).
What are the key properties of N-(2-bromo-6-fluoro-3-methylphenyl)oxolane-2-carboxamide?
N-(2-bromo-6-fluoro-3-methylphenyl)oxolane-2-carboxamide has a molecular weight of 302.14 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-6-fluoro-3-methylphenyl)oxolane-2-carboxamide is sourced from PubChem (CID 122145963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).