(2R)-N-(4-bromo-3,5-dimethylphenyl)oxolane-2-carboxamide

C13H16BrNO2 — CID 103582033

IUPAC(2R)-N-(4-bromo-3,5-dimethylphenyl)oxolane-2-carboxamide
SMILESCc1cc(NC(=O)[C@H]2CCCO2)cc(C)c1Br
InChIInChI=1S/C13H16BrNO2/c1-8-6-10(7-9(2)12(8)14)15-13(16)11-4-3-5-17-11/h6-7,11H,3-5H2,1-2H3,(H,15,16)/t11-/m1/s1
InChIKeyWKWOXWYYUPBNSA-LLVKDONJSA-N
MW298.18 g/mol
LogP3.18
Rot. Bonds2

About (2R)-N-(4-bromo-3,5-dimethylphenyl)oxolane-2-carboxamide

(2R)-N-(4-bromo-3,5-dimethylphenyl)oxolane-2-carboxamide (PubChem CID 103582033) has the molecular formula C13H16BrNO2 and a molecular weight of 298.18 g/mol. Its IUPAC name is (2R)-N-(4-bromo-3,5-dimethylphenyl)oxolane-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-(4-bromo-3,5-dimethylphenyl)oxolane-2-carboxamide
PubChem CID103582033
Molecular FormulaC13H16BrNO2
Molecular Weight298.18 g/mol
Exact Mass297.04
IUPAC Name(2R)-N-(4-bromo-3,5-dimethylphenyl)oxolane-2-carboxamide
SMILESCc1cc(NC(=O)[C@H]2CCCO2)cc(C)c1Br
InChIInChI=1S/C13H16BrNO2/c1-8-6-10(7-9(2)12(8)14)15-13(16)11-4-3-5-17-11/h6-7,11H,3-5H2,1-2H3,(H,15,16)/t11-/m1/s1
InChIKeyWKWOXWYYUPBNSA-LLVKDONJSA-N
XLogP3.18
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.18
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-(3,5-dimethylphenyl)oxolane-2-carboxamide
CID 7923565
(2S)-N-(3,5-dibromo-4-hydroxyphenyl)oxolane-2-carboxamide
CID 9319932
N-[4-(3,4-dimethylanilino)phenyl]oxolane-2-carboxamide
CID 112986357
2-methyl-4-[[(2R)-oxolane-2-carbonyl]amino]benzoic acid
CID 104855634
(2S)-N-(3,5-dimethoxyphenyl)oxolane-2-carboxamide
CID 9096652
N-[4-(3,5-dimethylanilino)phenyl]oxolane-2-carboxamide
CID 112986386
5-[[(2S)-oxolane-2-carbonyl]amino]benzene-1,3-dicarboxylic acid
CID 893641
(2R)-N-(5-bromo-2-methylphenyl)oxolane-2-carboxamide
CID 103849959
N-[4-(4-bromo-2-methylanilino)phenyl]oxolane-2-carboxamide
CID 112989098
N-(4-bromo-3,5-dimethylphenyl)oxane-3-carboxamide
CID 106491147
(2S)-N-[3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide
CID 7027817
2-methyl-5-(oxolane-2-carbonylamino)benzoic acid
CID 63652254

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-bromo-3,5-dimethylphenyl)oxolane-2-carboxamide?
The IUPAC name of (2R)-N-(4-bromo-3,5-dimethylphenyl)oxolane-2-carboxamide (CID 103582033) is (2R)-N-(4-bromo-3,5-dimethylphenyl)oxolane-2-carboxamide.
What is the SMILES notation for (2R)-N-(4-bromo-3,5-dimethylphenyl)oxolane-2-carboxamide?
The canonical SMILES for (2R)-N-(4-bromo-3,5-dimethylphenyl)oxolane-2-carboxamide is Cc1cc(NC(=O)[C@H]2CCCO2)cc(C)c1Br.
What is the InChIKey of (2R)-N-(4-bromo-3,5-dimethylphenyl)oxolane-2-carboxamide?
The InChIKey is WKWOXWYYUPBNSA-LLVKDONJSA-N. The full InChI is InChI=1S/C13H16BrNO2/c1-8-6-10(7-9(2)12(8)14)15-13(16)11-4-3-5-17-11/h6-7,11H,3-5H2,1-2H3,(H,15,16)/t11-/m1/s1.
What are the key properties of (2R)-N-(4-bromo-3,5-dimethylphenyl)oxolane-2-carboxamide?
(2R)-N-(4-bromo-3,5-dimethylphenyl)oxolane-2-carboxamide has a molecular weight of 298.18 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-bromo-3,5-dimethylphenyl)oxolane-2-carboxamide is sourced from PubChem (CID 103582033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).