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

C12H15BrN2O3 — CID 66235288

IUPAC4-amino-N-(2-bromo-5-methoxyphenyl)oxolane-3-carboxamide
SMILESCOc1ccc(Br)c(NC(=O)C2COCC2N)c1
InChIInChI=1S/C12H15BrN2O3/c1-17-7-2-3-9(13)11(4-7)15-12(16)8-5-18-6-10(8)14/h2-4,8,10H,5-6,14H2,1H3,(H,15,16)
InChIKeySNDSXBZIDMLLBS-UHFFFAOYSA-N
MW315.17 g/mol
LogP1.37
Rot. Bonds3

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

4-amino-N-(2-bromo-5-methoxyphenyl)oxolane-3-carboxamide (PubChem CID 66235288) has the molecular formula C12H15BrN2O3 and a molecular weight of 315.17 g/mol. Its IUPAC name is 4-amino-N-(2-bromo-5-methoxyphenyl)oxolane-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2-bromo-5-methoxyphenyl)oxolane-3-carboxamide
PubChem CID66235288
Molecular FormulaC12H15BrN2O3
Molecular Weight315.17 g/mol
Exact Mass314.03
IUPAC Name4-amino-N-(2-bromo-5-methoxyphenyl)oxolane-3-carboxamide
SMILESCOc1ccc(Br)c(NC(=O)C2COCC2N)c1
InChIInChI=1S/C12H15BrN2O3/c1-17-7-2-3-9(13)11(4-7)15-12(16)8-5-18-6-10(8)14/h2-4,8,10H,5-6,14H2,1H3,(H,15,16)
InChIKeySNDSXBZIDMLLBS-UHFFFAOYSA-N
XLogP1.37
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.17
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-(5-bromo-2-methylphenyl)oxolane-3-carboxamide
CID 66238442
3-amino-N-(2-bromo-5-methoxyphenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119752414
N-(2-bromo-5-methoxyphenyl)-2-ethyloxolane-3-carboxamide
CID 114105745
N-(2-bromo-5-methoxyphenyl)cycloheptanecarboxamide
CID 62780708
3-[(2-bromo-5-methoxyphenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103550857
4-amino-N-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)oxolane-3-carboxamide
CID 66240635
4-amino-N-(3-methoxy-2,4-dimethylphenyl)oxolane-3-carboxamide
CID 66239016
2-amino-N-(2,5-dimethoxyphenyl)cyclopropane-1-carboxamide
CID 114997065
4-amino-N-(4-bromo-3-chlorophenyl)oxolane-3-carboxamide
CID 107620314
methyl 2-[(4-aminooxolane-3-carbonyl)amino]-5-methylbenzoate
CID 66240421
4-amino-N-(4-bromo-2,6-dimethylphenyl)oxolane-3-carboxamide
CID 66240997
4-amino-N-(4-ethoxyphenyl)oxolane-3-carboxamide
CID 66241179

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-bromo-5-methoxyphenyl)oxolane-3-carboxamide?
The IUPAC name of 4-amino-N-(2-bromo-5-methoxyphenyl)oxolane-3-carboxamide (CID 66235288) is 4-amino-N-(2-bromo-5-methoxyphenyl)oxolane-3-carboxamide.
What is the SMILES notation for 4-amino-N-(2-bromo-5-methoxyphenyl)oxolane-3-carboxamide?
The canonical SMILES for 4-amino-N-(2-bromo-5-methoxyphenyl)oxolane-3-carboxamide is COc1ccc(Br)c(NC(=O)C2COCC2N)c1.
What is the InChIKey of 4-amino-N-(2-bromo-5-methoxyphenyl)oxolane-3-carboxamide?
The InChIKey is SNDSXBZIDMLLBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O3/c1-17-7-2-3-9(13)11(4-7)15-12(16)8-5-18-6-10(8)14/h2-4,8,10H,5-6,14H2,1H3,(H,15,16).
What are the key properties of 4-amino-N-(2-bromo-5-methoxyphenyl)oxolane-3-carboxamide?
4-amino-N-(2-bromo-5-methoxyphenyl)oxolane-3-carboxamide has a molecular weight of 315.17 g/mol, XLogP of 1.37, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-bromo-5-methoxyphenyl)oxolane-3-carboxamide is sourced from PubChem (CID 66235288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).