N-(3-bromo-4-fluorophenyl)oxane-4-carboxamide

C12H13BrFNO2 — CID 115661522

IUPACN-(3-bromo-4-fluorophenyl)oxane-4-carboxamide
SMILESO=C(Nc1ccc(F)c(Br)c1)C1CCOCC1
InChIInChI=1S/C12H13BrFNO2/c13-10-7-9(1-2-11(10)14)15-12(16)8-3-5-17-6-4-8/h1-2,7-8H,3-6H2,(H,15,16)
InChIKeyWAKGUZGJELCCMZ-UHFFFAOYSA-N
MW302.14 g/mol
LogP2.95
Rot. Bonds2

About N-(3-bromo-4-fluorophenyl)oxane-4-carboxamide

N-(3-bromo-4-fluorophenyl)oxane-4-carboxamide (PubChem CID 115661522) has the molecular formula C12H13BrFNO2 and a molecular weight of 302.14 g/mol. Its IUPAC name is N-(3-bromo-4-fluorophenyl)oxane-4-carboxamide.

Molecular Properties

Compound NameN-(3-bromo-4-fluorophenyl)oxane-4-carboxamide
PubChem CID115661522
Molecular FormulaC12H13BrFNO2
Molecular Weight302.14 g/mol
Exact Mass301.01
IUPAC NameN-(3-bromo-4-fluorophenyl)oxane-4-carboxamide
SMILESO=C(Nc1ccc(F)c(Br)c1)C1CCOCC1
InChIInChI=1S/C12H13BrFNO2/c13-10-7-9(1-2-11(10)14)15-12(16)8-3-5-17-6-4-8/h1-2,7-8H,3-6H2,(H,15,16)
InChIKeyWAKGUZGJELCCMZ-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-(3,4-difluorophenyl)oxane-4-carboxamide
CID 31963323
N-[4-(cyclopropanecarbonylamino)phenyl]oxane-4-carboxamide
CID 30179617
N-(4-bromo-3-fluorophenyl)cyclopropanecarboxamide
CID 65436838
2-fluoro-4-(oxane-4-carbonylamino)benzenesulfonyl chloride
CID 62906523
N-[4-(3-chloro-4-fluoroanilino)phenyl]oxane-4-carboxamide
CID 112987167
N-(3-bromo-4-fluorophenyl)piperidine-3-carboxamide;hydrochloride
CID 119281108
2-fluoro-5-(oxolane-3-carbonylamino)benzoic acid
CID 61270294
N-(3-bromo-4-fluorophenyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 115661550
N-(3-bromo-4-cyanophenyl)oxolane-3-carboxamide
CID 112736097
N-[4-(3-aminoprop-1-ynyl)-3-fluorophenyl]oxane-4-carboxamide
CID 65438048
N-(3-iodo-4-methylphenyl)oxane-4-carboxamide
CID 31969171
N-(3-bromo-4-fluorophenyl)piperidine-2-carboxamide
CID 115733745

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-fluorophenyl)oxane-4-carboxamide?
The IUPAC name of N-(3-bromo-4-fluorophenyl)oxane-4-carboxamide (CID 115661522) is N-(3-bromo-4-fluorophenyl)oxane-4-carboxamide.
What is the SMILES notation for N-(3-bromo-4-fluorophenyl)oxane-4-carboxamide?
The canonical SMILES for N-(3-bromo-4-fluorophenyl)oxane-4-carboxamide is O=C(Nc1ccc(F)c(Br)c1)C1CCOCC1.
What is the InChIKey of N-(3-bromo-4-fluorophenyl)oxane-4-carboxamide?
The InChIKey is WAKGUZGJELCCMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrFNO2/c13-10-7-9(1-2-11(10)14)15-12(16)8-3-5-17-6-4-8/h1-2,7-8H,3-6H2,(H,15,16).
What are the key properties of N-(3-bromo-4-fluorophenyl)oxane-4-carboxamide?
N-(3-bromo-4-fluorophenyl)oxane-4-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-(3-bromo-4-fluorophenyl)oxane-4-carboxamide is sourced from PubChem (CID 115661522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).