4-amino-N-(5-bromo-2-methylphenyl)oxolane-3-carboxamide

C12H15BrN2O2 — CID 66238442

IUPAC4-amino-N-(5-bromo-2-methylphenyl)oxolane-3-carboxamide
SMILESCc1ccc(Br)cc1NC(=O)C1COCC1N
InChIInChI=1S/C12H15BrN2O2/c1-7-2-3-8(13)4-11(7)15-12(16)9-5-17-6-10(9)14/h2-4,9-10H,5-6,14H2,1H3,(H,15,16)
InChIKeyIMPCLSWQJNEQTK-UHFFFAOYSA-N
MW299.17 g/mol
LogP1.67
Rot. Bonds2

About 4-amino-N-(5-bromo-2-methylphenyl)oxolane-3-carboxamide

4-amino-N-(5-bromo-2-methylphenyl)oxolane-3-carboxamide (PubChem CID 66238442) has the molecular formula C12H15BrN2O2 and a molecular weight of 299.17 g/mol. Its IUPAC name is 4-amino-N-(5-bromo-2-methylphenyl)oxolane-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(5-bromo-2-methylphenyl)oxolane-3-carboxamide
PubChem CID66238442
Molecular FormulaC12H15BrN2O2
Molecular Weight299.17 g/mol
Exact Mass298.03
IUPAC Name4-amino-N-(5-bromo-2-methylphenyl)oxolane-3-carboxamide
SMILESCc1ccc(Br)cc1NC(=O)C1COCC1N
InChIInChI=1S/C12H15BrN2O2/c1-7-2-3-8(13)4-11(7)15-12(16)9-5-17-6-10(9)14/h2-4,9-10H,5-6,14H2,1H3,(H,15,16)
InChIKeyIMPCLSWQJNEQTK-UHFFFAOYSA-N
XLogP1.67
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.17
LogP ≤ 51.67
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-[2-methyl-5-(propanoylamino)phenyl]oxolane-3-carboxamide
CID 66239629
4-amino-N-[5-(ethylcarbamoyl)-2-methylphenyl]oxolane-3-carboxamide
CID 66240837
4-amino-N-(4-bromo-3,5-dimethylphenyl)oxolane-3-carboxamide
CID 107574306
N-(5-bromo-2-methylphenyl)-2-methylcyclopropane-1-carboxamide
CID 43806366
4-amino-N-(3-methoxy-2,4-dimethylphenyl)oxolane-3-carboxamide
CID 66239016
4-amino-N-(3-iodo-4-methylphenyl)oxolane-3-carboxamide
CID 66239031
4-amino-N-(2-chloro-3-methylphenyl)oxolane-3-carboxamide
CID 114252127
4-amino-N-(2-bromo-5-methoxyphenyl)oxolane-3-carboxamide
CID 66235288
4-amino-N-(2-methyl-4-nitrophenyl)oxolane-3-carboxamide
CID 66240231
(3S,4S)-N-(5-bromo-2-methylphenyl)-4-methylpyrrolidine-3-carboxamide
CID 98538433
methyl 2-[(4-aminooxolane-3-carbonyl)amino]-5-methylbenzoate
CID 66240421

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(5-bromo-2-methylphenyl)oxolane-3-carboxamide?
The IUPAC name of 4-amino-N-(5-bromo-2-methylphenyl)oxolane-3-carboxamide (CID 66238442) is 4-amino-N-(5-bromo-2-methylphenyl)oxolane-3-carboxamide.
What is the SMILES notation for 4-amino-N-(5-bromo-2-methylphenyl)oxolane-3-carboxamide?
The canonical SMILES for 4-amino-N-(5-bromo-2-methylphenyl)oxolane-3-carboxamide is Cc1ccc(Br)cc1NC(=O)C1COCC1N.
What is the InChIKey of 4-amino-N-(5-bromo-2-methylphenyl)oxolane-3-carboxamide?
The InChIKey is IMPCLSWQJNEQTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O2/c1-7-2-3-8(13)4-11(7)15-12(16)9-5-17-6-10(9)14/h2-4,9-10H,5-6,14H2,1H3,(H,15,16).
What are the key properties of 4-amino-N-(5-bromo-2-methylphenyl)oxolane-3-carboxamide?
4-amino-N-(5-bromo-2-methylphenyl)oxolane-3-carboxamide has a molecular weight of 299.17 g/mol, XLogP of 1.67, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(5-bromo-2-methylphenyl)oxolane-3-carboxamide is sourced from PubChem (CID 66238442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).