(2R)-N-(5-bromo-2-methylphenyl)oxolane-2-carboxamide

C12H14BrNO2 — CID 103849959

IUPAC(2R)-N-(5-bromo-2-methylphenyl)oxolane-2-carboxamide
SMILESCc1ccc(Br)cc1NC(=O)[C@H]1CCCO1
InChIInChI=1S/C12H14BrNO2/c1-8-4-5-9(13)7-10(8)14-12(15)11-3-2-6-16-11/h4-5,7,11H,2-3,6H2,1H3,(H,14,15)/t11-/m1/s1
InChIKeyNNFGALBTSKDOEO-LLVKDONJSA-N
MW284.15 g/mol
LogP2.88
Rot. Bonds2

About (2R)-N-(5-bromo-2-methylphenyl)oxolane-2-carboxamide

(2R)-N-(5-bromo-2-methylphenyl)oxolane-2-carboxamide (PubChem CID 103849959) has the molecular formula C12H14BrNO2 and a molecular weight of 284.15 g/mol. Its IUPAC name is (2R)-N-(5-bromo-2-methylphenyl)oxolane-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-(5-bromo-2-methylphenyl)oxolane-2-carboxamide
PubChem CID103849959
Molecular FormulaC12H14BrNO2
Molecular Weight284.15 g/mol
Exact Mass283.02
IUPAC Name(2R)-N-(5-bromo-2-methylphenyl)oxolane-2-carboxamide
SMILESCc1ccc(Br)cc1NC(=O)[C@H]1CCCO1
InChIInChI=1S/C12H14BrNO2/c1-8-4-5-9(13)7-10(8)14-12(15)11-3-2-6-16-11/h4-5,7,11H,2-3,6H2,1H3,(H,14,15)/t11-/m1/s1
InChIKeyNNFGALBTSKDOEO-LLVKDONJSA-N
XLogP2.88
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.15
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-bromo-2-fluorophenyl)oxolane-2-carboxamide
CID 110779487
N-[5-bromo-2-(ethylamino)phenyl]oxolane-2-carboxamide
CID 75499394
(2S)-N-(4-bromo-2-methylphenyl)oxetane-2-carboxamide
CID 97247026
N-(2-acetyl-4-bromophenyl)oxolane-2-carboxamide
CID 75503576
N-[4-(4-bromo-2-methylanilino)phenyl]oxolane-2-carboxamide
CID 112989098
N-(2-methyl-5-piperidin-1-ylphenyl)oxolane-2-carboxamide
CID 110362184
N-(2-amino-4-bromophenyl)oxane-2-carboxamide
CID 62213310
(2R)-N-(4-bromo-3,5-dimethylphenyl)oxolane-2-carboxamide
CID 103582033
N-(5-bromo-2-methylphenyl)-3-(oxolan-2-yl)propanamide
CID 60794150
N-[5-(3-hydroxyprop-1-ynyl)-2-methylphenyl]oxolane-2-carboxamide
CID 60802805
(2S)-N-[4-methyl-2-[[(2R)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide
CID 7926588
N-(5-bromo-2-methyl-3-nitrophenyl)oxolane-2-carboxamide
CID 122148444

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(5-bromo-2-methylphenyl)oxolane-2-carboxamide?
The IUPAC name of (2R)-N-(5-bromo-2-methylphenyl)oxolane-2-carboxamide (CID 103849959) is (2R)-N-(5-bromo-2-methylphenyl)oxolane-2-carboxamide.
What is the SMILES notation for (2R)-N-(5-bromo-2-methylphenyl)oxolane-2-carboxamide?
The canonical SMILES for (2R)-N-(5-bromo-2-methylphenyl)oxolane-2-carboxamide is Cc1ccc(Br)cc1NC(=O)[C@H]1CCCO1.
What is the InChIKey of (2R)-N-(5-bromo-2-methylphenyl)oxolane-2-carboxamide?
The InChIKey is NNFGALBTSKDOEO-LLVKDONJSA-N. The full InChI is InChI=1S/C12H14BrNO2/c1-8-4-5-9(13)7-10(8)14-12(15)11-3-2-6-16-11/h4-5,7,11H,2-3,6H2,1H3,(H,14,15)/t11-/m1/s1.
What are the key properties of (2R)-N-(5-bromo-2-methylphenyl)oxolane-2-carboxamide?
(2R)-N-(5-bromo-2-methylphenyl)oxolane-2-carboxamide has a molecular weight of 284.15 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(5-bromo-2-methylphenyl)oxolane-2-carboxamide is sourced from PubChem (CID 103849959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).