N-(5-bromo-2-fluorophenyl)oxolane-2-carboxamide

C11H11BrFNO2 — CID 110779487

IUPACN-(5-bromo-2-fluorophenyl)oxolane-2-carboxamide
SMILESO=C(Nc1cc(Br)ccc1F)C1CCCO1
InChIInChI=1S/C11H11BrFNO2/c12-7-3-4-8(13)9(6-7)14-11(15)10-2-1-5-16-10/h3-4,6,10H,1-2,5H2,(H,14,15)
InChIKeyWUGJPLVRLQFBNS-UHFFFAOYSA-N
MW288.12 g/mol
LogP2.71
Rot. Bonds2

About N-(5-bromo-2-fluorophenyl)oxolane-2-carboxamide

N-(5-bromo-2-fluorophenyl)oxolane-2-carboxamide (PubChem CID 110779487) has the molecular formula C11H11BrFNO2 and a molecular weight of 288.12 g/mol. Its IUPAC name is N-(5-bromo-2-fluorophenyl)oxolane-2-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-2-fluorophenyl)oxolane-2-carboxamide
PubChem CID110779487
Molecular FormulaC11H11BrFNO2
Molecular Weight288.12 g/mol
Exact Mass287.00
IUPAC NameN-(5-bromo-2-fluorophenyl)oxolane-2-carboxamide
SMILESO=C(Nc1cc(Br)ccc1F)C1CCCO1
InChIInChI=1S/C11H11BrFNO2/c12-7-3-4-8(13)9(6-7)14-11(15)10-2-1-5-16-10/h3-4,6,10H,1-2,5H2,(H,14,15)
InChIKeyWUGJPLVRLQFBNS-UHFFFAOYSA-N
XLogP2.71
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.12
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-(5-bromo-2-methylphenyl)oxolane-2-carboxamide
CID 103849959
4-fluoro-3-[[(2R)-oxolane-2-carbonyl]amino]benzoic acid
CID 104855570
N-[5-bromo-2-(ethylamino)phenyl]oxolane-2-carboxamide
CID 75499394
N-(2-amino-4-bromophenyl)oxane-2-carboxamide
CID 62213310
N-(2-fluoro-5-nitrophenyl)oxolane-2-carboxamide
CID 3283180
N-(2-acetyl-4-bromophenyl)oxolane-2-carboxamide
CID 75503576
N-(2-bromo-5-chlorophenyl)oxolane-2-carboxamide
CID 81272173
(2S)-N-[5-bromo-2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]oxolane-2-carboxamide
CID 136585225
(2R)-N-(2,5-dichlorophenyl)oxolane-2-carboxamide
CID 1086830
N-(2-bromo-6-fluoro-3-methylphenyl)oxolane-2-carboxamide
CID 122145963
(2S)-N-(4-bromo-2-methylphenyl)oxetane-2-carboxamide
CID 97247026
N-(4-chloro-2-methylphenyl)oxolane-2-carboxamide
CID 42906730

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-fluorophenyl)oxolane-2-carboxamide?
The IUPAC name of N-(5-bromo-2-fluorophenyl)oxolane-2-carboxamide (CID 110779487) is N-(5-bromo-2-fluorophenyl)oxolane-2-carboxamide.
What is the SMILES notation for N-(5-bromo-2-fluorophenyl)oxolane-2-carboxamide?
The canonical SMILES for N-(5-bromo-2-fluorophenyl)oxolane-2-carboxamide is O=C(Nc1cc(Br)ccc1F)C1CCCO1.
What is the InChIKey of N-(5-bromo-2-fluorophenyl)oxolane-2-carboxamide?
The InChIKey is WUGJPLVRLQFBNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrFNO2/c12-7-3-4-8(13)9(6-7)14-11(15)10-2-1-5-16-10/h3-4,6,10H,1-2,5H2,(H,14,15).
What are the key properties of N-(5-bromo-2-fluorophenyl)oxolane-2-carboxamide?
N-(5-bromo-2-fluorophenyl)oxolane-2-carboxamide has a molecular weight of 288.12 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-fluorophenyl)oxolane-2-carboxamide is sourced from PubChem (CID 110779487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).