N-(2-bromo-5-methoxyphenyl)-2-ethyloxolane-3-carboxamide

C14H18BrNO3 — CID 114105745

IUPACN-(2-bromo-5-methoxyphenyl)-2-ethyloxolane-3-carboxamide
SMILESCCC1OCCC1C(=O)Nc1cc(OC)ccc1Br
InChIInChI=1S/C14H18BrNO3/c1-3-13-10(6-7-19-13)14(17)16-12-8-9(18-2)4-5-11(12)15/h4-5,8,10,13H,3,6-7H2,1-2H3,(H,16,17)
InChIKeyIVYHSXGFRDYJRJ-UHFFFAOYSA-N
MW328.21 g/mol
LogP3.21
Rot. Bonds4

About N-(2-bromo-5-methoxyphenyl)-2-ethyloxolane-3-carboxamide

N-(2-bromo-5-methoxyphenyl)-2-ethyloxolane-3-carboxamide (PubChem CID 114105745) has the molecular formula C14H18BrNO3 and a molecular weight of 328.21 g/mol. Its IUPAC name is N-(2-bromo-5-methoxyphenyl)-2-ethyloxolane-3-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-5-methoxyphenyl)-2-ethyloxolane-3-carboxamide
PubChem CID114105745
Molecular FormulaC14H18BrNO3
Molecular Weight328.21 g/mol
Exact Mass327.05
IUPAC NameN-(2-bromo-5-methoxyphenyl)-2-ethyloxolane-3-carboxamide
SMILESCCC1OCCC1C(=O)Nc1cc(OC)ccc1Br
InChIInChI=1S/C14H18BrNO3/c1-3-13-10(6-7-19-13)14(17)16-12-8-9(18-2)4-5-11(12)15/h4-5,8,10,13H,3,6-7H2,1-2H3,(H,16,17)
InChIKeyIVYHSXGFRDYJRJ-UHFFFAOYSA-N
XLogP3.21
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.21
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-(2-bromo-5-methoxyphenyl)oxolane-3-carboxamide
CID 66235288
N-(2-bromo-5-methoxyphenyl)cycloheptanecarboxamide
CID 62780708
3-[(2-bromo-5-methoxyphenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103550857
N-(2-chloro-5-iodophenyl)-2-ethyloxolane-3-carboxamide
CID 114258881
N-(2-bromo-5-methoxyphenyl)-2-cyclobutylacetamide
CID 103707213
N-(2-bromo-5-methoxyphenyl)-2-cyclopentylacetamide
CID 62416412
3-amino-N-(2-bromo-5-methoxyphenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119752414
N-(2-bromo-5-methoxyphenyl)-2,2-dimethylcyclohexane-1-carboxamide
CID 107178935
5-methoxy-2-[(2-methyloxolane-3-carbonyl)amino]benzoic acid
CID 115410893
2-ethyl-N-(3-hydroxy-4-methylphenyl)oxolane-3-carboxamide
CID 114104202
2-(2-bromo-5-methoxyphenyl)-1-(2-methyloxolan-3-yl)ethanone
CID 114973642
1-(2-bromo-5-methoxyphenyl)-3-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]urea
CID 95596162

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-methoxyphenyl)-2-ethyloxolane-3-carboxamide?
The IUPAC name of N-(2-bromo-5-methoxyphenyl)-2-ethyloxolane-3-carboxamide (CID 114105745) is N-(2-bromo-5-methoxyphenyl)-2-ethyloxolane-3-carboxamide.
What is the SMILES notation for N-(2-bromo-5-methoxyphenyl)-2-ethyloxolane-3-carboxamide?
The canonical SMILES for N-(2-bromo-5-methoxyphenyl)-2-ethyloxolane-3-carboxamide is CCC1OCCC1C(=O)Nc1cc(OC)ccc1Br.
What is the InChIKey of N-(2-bromo-5-methoxyphenyl)-2-ethyloxolane-3-carboxamide?
The InChIKey is IVYHSXGFRDYJRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO3/c1-3-13-10(6-7-19-13)14(17)16-12-8-9(18-2)4-5-11(12)15/h4-5,8,10,13H,3,6-7H2,1-2H3,(H,16,17).
What are the key properties of N-(2-bromo-5-methoxyphenyl)-2-ethyloxolane-3-carboxamide?
N-(2-bromo-5-methoxyphenyl)-2-ethyloxolane-3-carboxamide has a molecular weight of 328.21 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-5-methoxyphenyl)-2-ethyloxolane-3-carboxamide is sourced from PubChem (CID 114105745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).