N-(2-bromo-5-fluorophenyl)oxane-3-carboxamide

C12H13BrFNO2 — CID 103753605

IUPACN-(2-bromo-5-fluorophenyl)oxane-3-carboxamide
SMILESO=C(Nc1cc(F)ccc1Br)C1CCCOC1
InChIInChI=1S/C12H13BrFNO2/c13-10-4-3-9(14)6-11(10)15-12(16)8-2-1-5-17-7-8/h3-4,6,8H,1-2,5,7H2,(H,15,16)
InChIKeyJOFUVEGDMPIKGR-UHFFFAOYSA-N
MW302.14 g/mol
LogP2.95
Rot. Bonds2

About N-(2-bromo-5-fluorophenyl)oxane-3-carboxamide

N-(2-bromo-5-fluorophenyl)oxane-3-carboxamide (PubChem CID 103753605) has the molecular formula C12H13BrFNO2 and a molecular weight of 302.14 g/mol. Its IUPAC name is N-(2-bromo-5-fluorophenyl)oxane-3-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-5-fluorophenyl)oxane-3-carboxamide
PubChem CID103753605
Molecular FormulaC12H13BrFNO2
Molecular Weight302.14 g/mol
Exact Mass301.01
IUPAC NameN-(2-bromo-5-fluorophenyl)oxane-3-carboxamide
SMILESO=C(Nc1cc(F)ccc1Br)C1CCCOC1
InChIInChI=1S/C12H13BrFNO2/c13-10-4-3-9(14)6-11(10)15-12(16)8-2-1-5-17-7-8/h3-4,6,8H,1-2,5,7H2,(H,15,16)
InChIKeyJOFUVEGDMPIKGR-UHFFFAOYSA-N
XLogP2.95
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 ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-cyano-4-fluorophenyl)oxane-3-carboxamide
CID 79953095
N-(2-bromo-4-chlorophenyl)oxane-3-carboxamide
CID 81028663
N-(2-fluoro-4-hydroxyphenyl)oxane-3-carboxamide
CID 64787080
N-(2-bromo-5-fluorophenyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 103753587
3-amino-N-(2-bromo-5-fluorophenyl)cyclopentane-1-carboxamide
CID 103808505
N-(2-bromo-5-fluorophenyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 106703873
(2R)-N-(2-bromo-5-fluorophenyl)pyrrolidine-2-carboxamide
CID 103794703
N-(4-bromo-3,5-dimethylphenyl)oxane-3-carboxamide
CID 106491147
N-(2-bromo-5-fluorophenyl)morpholine-4-carboxamide
CID 103755867
N-(6-bromonaphthalen-2-yl)oxane-3-carboxamide
CID 81004002
N-(3-fluoro-4-hydroxyphenyl)oxane-3-carboxamide
CID 64780687
N-(2-bromo-5-fluorophenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 103753355

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-fluorophenyl)oxane-3-carboxamide?
The IUPAC name of N-(2-bromo-5-fluorophenyl)oxane-3-carboxamide (CID 103753605) is N-(2-bromo-5-fluorophenyl)oxane-3-carboxamide.
What is the SMILES notation for N-(2-bromo-5-fluorophenyl)oxane-3-carboxamide?
The canonical SMILES for N-(2-bromo-5-fluorophenyl)oxane-3-carboxamide is O=C(Nc1cc(F)ccc1Br)C1CCCOC1.
What is the InChIKey of N-(2-bromo-5-fluorophenyl)oxane-3-carboxamide?
The InChIKey is JOFUVEGDMPIKGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrFNO2/c13-10-4-3-9(14)6-11(10)15-12(16)8-2-1-5-17-7-8/h3-4,6,8H,1-2,5,7H2,(H,15,16).
What are the key properties of N-(2-bromo-5-fluorophenyl)oxane-3-carboxamide?
N-(2-bromo-5-fluorophenyl)oxane-3-carboxamide has a molecular weight of 302.14 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-5-fluorophenyl)oxane-3-carboxamide is sourced from PubChem (CID 103753605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).