N-(2-bromo-4-cyanophenyl)oxolane-2-carboxamide

C12H11BrN2O2 — CID 113231348

IUPACN-(2-bromo-4-cyanophenyl)oxolane-2-carboxamide
SMILESN#Cc1ccc(NC(=O)C2CCCO2)c(Br)c1
InChIInChI=1S/C12H11BrN2O2/c13-9-6-8(7-14)3-4-10(9)15-12(16)11-2-1-5-17-11/h3-4,6,11H,1-2,5H2,(H,15,16)
InChIKeyNHOWFIDKULVUBY-UHFFFAOYSA-N
MW295.14 g/mol
LogP2.44
Rot. Bonds2

About N-(2-bromo-4-cyanophenyl)oxolane-2-carboxamide

N-(2-bromo-4-cyanophenyl)oxolane-2-carboxamide (PubChem CID 113231348) has the molecular formula C12H11BrN2O2 and a molecular weight of 295.14 g/mol. Its IUPAC name is N-(2-bromo-4-cyanophenyl)oxolane-2-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-4-cyanophenyl)oxolane-2-carboxamide
PubChem CID113231348
Molecular FormulaC12H11BrN2O2
Molecular Weight295.14 g/mol
Exact Mass294.00
IUPAC NameN-(2-bromo-4-cyanophenyl)oxolane-2-carboxamide
SMILESN#Cc1ccc(NC(=O)C2CCCO2)c(Br)c1
InChIInChI=1S/C12H11BrN2O2/c13-9-6-8(7-14)3-4-10(9)15-12(16)11-2-1-5-17-11/h3-4,6,11H,1-2,5H2,(H,15,16)
InChIKeyNHOWFIDKULVUBY-UHFFFAOYSA-N
XLogP2.44
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 ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-4-[[(2R)-oxolane-2-carbonyl]amino]benzoic acid
CID 104855724
N-(2-bromo-4-cyanophenyl)-2-(oxolan-2-yl)acetamide
CID 113234651
(2R)-N-(4-chloro-2-cyanophenyl)oxolane-2-carboxamide
CID 126837214
N-(2-cyanophenyl)oxolane-2-carboxamide
CID 2948515
N-(2-bromophenyl)oxane-2-carboxamide
CID 62214619
N-(2-bromo-5-chlorophenyl)oxolane-2-carboxamide
CID 81272173
N-(2-acetyl-4-bromophenyl)oxolane-2-carboxamide
CID 75503576
(2R)-N-[3-[(4-cyano-2-fluoroanilino)methyl]phenyl]oxolane-2-carboxamide
CID 52855519
(2S)-N-[4-methyl-2-[[(2R)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide
CID 7926588
(2R)-N-(5-bromo-2-methylphenyl)oxolane-2-carboxamide
CID 103849959
N-(5-bromo-2-fluorophenyl)oxolane-2-carboxamide
CID 110779487
N-[5-bromo-2-(ethylamino)phenyl]oxolane-2-carboxamide
CID 75499394

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-cyanophenyl)oxolane-2-carboxamide?
The IUPAC name of N-(2-bromo-4-cyanophenyl)oxolane-2-carboxamide (CID 113231348) is N-(2-bromo-4-cyanophenyl)oxolane-2-carboxamide.
What is the SMILES notation for N-(2-bromo-4-cyanophenyl)oxolane-2-carboxamide?
The canonical SMILES for N-(2-bromo-4-cyanophenyl)oxolane-2-carboxamide is N#Cc1ccc(NC(=O)C2CCCO2)c(Br)c1.
What is the InChIKey of N-(2-bromo-4-cyanophenyl)oxolane-2-carboxamide?
The InChIKey is NHOWFIDKULVUBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2O2/c13-9-6-8(7-14)3-4-10(9)15-12(16)11-2-1-5-17-11/h3-4,6,11H,1-2,5H2,(H,15,16).
What are the key properties of N-(2-bromo-4-cyanophenyl)oxolane-2-carboxamide?
N-(2-bromo-4-cyanophenyl)oxolane-2-carboxamide has a molecular weight of 295.14 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-cyanophenyl)oxolane-2-carboxamide is sourced from PubChem (CID 113231348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).