N-(3-bromo-4-cyanophenyl)oxolane-3-carboxamide

C12H11BrN2O2 — CID 112736097

IUPACN-(3-bromo-4-cyanophenyl)oxolane-3-carboxamide
SMILESN#Cc1ccc(NC(=O)C2CCOC2)cc1Br
InChIInChI=1S/C12H11BrN2O2/c13-11-5-10(2-1-8(11)6-14)15-12(16)9-3-4-17-7-9/h1-2,5,9H,3-4,7H2,(H,15,16)
InChIKeyNONKDFUAGJQMRG-UHFFFAOYSA-N
MW295.14 g/mol
LogP2.30
Rot. Bonds2

About N-(3-bromo-4-cyanophenyl)oxolane-3-carboxamide

N-(3-bromo-4-cyanophenyl)oxolane-3-carboxamide (PubChem CID 112736097) has the molecular formula C12H11BrN2O2 and a molecular weight of 295.14 g/mol. Its IUPAC name is N-(3-bromo-4-cyanophenyl)oxolane-3-carboxamide.

Molecular Properties

Compound NameN-(3-bromo-4-cyanophenyl)oxolane-3-carboxamide
PubChem CID112736097
Molecular FormulaC12H11BrN2O2
Molecular Weight295.14 g/mol
Exact Mass294.00
IUPAC NameN-(3-bromo-4-cyanophenyl)oxolane-3-carboxamide
SMILESN#Cc1ccc(NC(=O)C2CCOC2)cc1Br
InChIInChI=1S/C12H11BrN2O2/c13-11-5-10(2-1-8(11)6-14)15-12(16)9-3-4-17-7-9/h1-2,5,9H,3-4,7H2,(H,15,16)
InChIKeyNONKDFUAGJQMRG-UHFFFAOYSA-N
XLogP2.30
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.14
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-cyano-4-piperazin-1-ylphenyl)oxolane-3-carboxamide
CID 57336447
(3R)-N-(3-bromo-4-nitrophenyl)oxane-3-carboxamide
CID 97338451
N-(2-bromo-4-pyridinyl)oxolane-3-carboxamide
CID 130752406
N-(3-bromo-4-fluorophenyl)oxane-4-carboxamide
CID 115661522
N-(4-ethynylphenyl)oxolane-3-carboxamide
CID 165452095
N-(3-acetylphenyl)oxolane-3-carboxamide
CID 61276696
N-(1,3-benzodioxol-5-yl)oxolane-3-carboxamide
CID 110863146
N-(3,5-dimethylphenyl)oxolane-3-carboxamide
CID 47443287
N-(4-amino-2,6-dibromophenyl)oxolane-3-carboxamide
CID 61272365
N-(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxolane-3-carboxamide
CID 78004870
N-(3-chlorophenyl)oxolane-3-carboxamide
CID 47443169
N-(6-bromonaphthalen-2-yl)oxane-3-carboxamide
CID 81004002

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-cyanophenyl)oxolane-3-carboxamide?
The IUPAC name of N-(3-bromo-4-cyanophenyl)oxolane-3-carboxamide (CID 112736097) is N-(3-bromo-4-cyanophenyl)oxolane-3-carboxamide.
What is the SMILES notation for N-(3-bromo-4-cyanophenyl)oxolane-3-carboxamide?
The canonical SMILES for N-(3-bromo-4-cyanophenyl)oxolane-3-carboxamide is N#Cc1ccc(NC(=O)C2CCOC2)cc1Br.
What is the InChIKey of N-(3-bromo-4-cyanophenyl)oxolane-3-carboxamide?
The InChIKey is NONKDFUAGJQMRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2O2/c13-11-5-10(2-1-8(11)6-14)15-12(16)9-3-4-17-7-9/h1-2,5,9H,3-4,7H2,(H,15,16).
What are the key properties of N-(3-bromo-4-cyanophenyl)oxolane-3-carboxamide?
N-(3-bromo-4-cyanophenyl)oxolane-3-carboxamide has a molecular weight of 295.14 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-cyanophenyl)oxolane-3-carboxamide is sourced from PubChem (CID 112736097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).