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

C13H17BrN2O2 — CID 107574306

IUPAC4-amino-N-(4-bromo-3,5-dimethylphenyl)oxolane-3-carboxamide
SMILESCc1cc(NC(=O)C2COCC2N)cc(C)c1Br
InChIInChI=1S/C13H17BrN2O2/c1-7-3-9(4-8(2)12(7)14)16-13(17)10-5-18-6-11(10)15/h3-4,10-11H,5-6,15H2,1-2H3,(H,16,17)
InChIKeyIWPXBTYUVIYRBG-UHFFFAOYSA-N
MW313.20 g/mol
LogP1.98
Rot. Bonds2

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

4-amino-N-(4-bromo-3,5-dimethylphenyl)oxolane-3-carboxamide (PubChem CID 107574306) has the molecular formula C13H17BrN2O2 and a molecular weight of 313.20 g/mol. Its IUPAC name is 4-amino-N-(4-bromo-3,5-dimethylphenyl)oxolane-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(4-bromo-3,5-dimethylphenyl)oxolane-3-carboxamide
PubChem CID107574306
Molecular FormulaC13H17BrN2O2
Molecular Weight313.20 g/mol
Exact Mass312.05
IUPAC Name4-amino-N-(4-bromo-3,5-dimethylphenyl)oxolane-3-carboxamide
SMILESCc1cc(NC(=O)C2COCC2N)cc(C)c1Br
InChIInChI=1S/C13H17BrN2O2/c1-7-3-9(4-8(2)12(7)14)16-13(17)10-5-18-6-11(10)15/h3-4,10-11H,5-6,15H2,1-2H3,(H,16,17)
InChIKeyIWPXBTYUVIYRBG-UHFFFAOYSA-N
XLogP1.98
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.20
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-(4-bromo-2,6-dimethylphenyl)oxolane-3-carboxamide
CID 66240997
4-amino-N-(5-bromo-2-methylphenyl)oxolane-3-carboxamide
CID 66238442
4-amino-N-(3-iodo-4-methylphenyl)oxolane-3-carboxamide
CID 66239031
4-amino-N-(2-methyl-4-pyridinyl)oxolane-3-carboxamide
CID 79241184
4-amino-N-(4-bromo-3-chlorophenyl)oxolane-3-carboxamide
CID 107620314
4-amino-N-[4-(carbamoylamino)phenyl]oxolane-3-carboxamide
CID 66238841
4-[(4-aminooxolane-3-carbonyl)amino]benzoic acid
CID 66238273
4-amino-N-(2,3-dimethylphenyl)oxolane-3-carboxamide
CID 66240994
4-amino-N-[2-methyl-5-(propanoylamino)phenyl]oxolane-3-carboxamide
CID 66239629
4-amino-N-(2,5-dimethylpyrazol-3-yl)oxolane-3-carboxamide
CID 66241190
4-amino-N-(1-methyl-6-oxo-3-pyridinyl)oxolane-3-carboxamide
CID 66239661
2-[(4-bromo-3,5-dimethylphenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 107571596

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4-bromo-3,5-dimethylphenyl)oxolane-3-carboxamide?
The IUPAC name of 4-amino-N-(4-bromo-3,5-dimethylphenyl)oxolane-3-carboxamide (CID 107574306) is 4-amino-N-(4-bromo-3,5-dimethylphenyl)oxolane-3-carboxamide.
What is the SMILES notation for 4-amino-N-(4-bromo-3,5-dimethylphenyl)oxolane-3-carboxamide?
The canonical SMILES for 4-amino-N-(4-bromo-3,5-dimethylphenyl)oxolane-3-carboxamide is Cc1cc(NC(=O)C2COCC2N)cc(C)c1Br.
What is the InChIKey of 4-amino-N-(4-bromo-3,5-dimethylphenyl)oxolane-3-carboxamide?
The InChIKey is IWPXBTYUVIYRBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O2/c1-7-3-9(4-8(2)12(7)14)16-13(17)10-5-18-6-11(10)15/h3-4,10-11H,5-6,15H2,1-2H3,(H,16,17).
What are the key properties of 4-amino-N-(4-bromo-3,5-dimethylphenyl)oxolane-3-carboxamide?
4-amino-N-(4-bromo-3,5-dimethylphenyl)oxolane-3-carboxamide has a molecular weight of 313.20 g/mol, XLogP of 1.98, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(4-bromo-3,5-dimethylphenyl)oxolane-3-carboxamide is sourced from PubChem (CID 107574306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).