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

C12H14BrNO3 — CID 47494478

IUPACN-(5-bromo-2-methoxyphenyl)oxolane-3-carboxamide
SMILESCOc1ccc(Br)cc1NC(=O)C1CCOC1
InChIInChI=1S/C12H14BrNO3/c1-16-11-3-2-9(13)6-10(11)14-12(15)8-4-5-17-7-8/h2-3,6,8H,4-5,7H2,1H3,(H,14,15)
InChIKeyFPNKNAKOXSBHIM-UHFFFAOYSA-N
MW300.15 g/mol
LogP2.43
Rot. Bonds3

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

N-(5-bromo-2-methoxyphenyl)oxolane-3-carboxamide (PubChem CID 47494478) has the molecular formula C12H14BrNO3 and a molecular weight of 300.15 g/mol. Its IUPAC name is N-(5-bromo-2-methoxyphenyl)oxolane-3-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-2-methoxyphenyl)oxolane-3-carboxamide
PubChem CID47494478
Molecular FormulaC12H14BrNO3
Molecular Weight300.15 g/mol
Exact Mass299.02
IUPAC NameN-(5-bromo-2-methoxyphenyl)oxolane-3-carboxamide
SMILESCOc1ccc(Br)cc1NC(=O)C1CCOC1
InChIInChI=1S/C12H14BrNO3/c1-16-11-3-2-9(13)6-10(11)14-12(15)8-4-5-17-7-8/h2-3,6,8H,4-5,7H2,1H3,(H,14,15)
InChIKeyFPNKNAKOXSBHIM-UHFFFAOYSA-N
XLogP2.43
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.15
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 65018183
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CID 55110367
N-(5-bromo-2-methoxyphenyl)piperidine-4-carboxamide
CID 54967697
N-(5-bromo-2-methoxyphenyl)pyrrolidine-3-carboxamide
CID 63006028
(2S,4S)-N-(5-bromo-2-methoxyphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120623124
(3S)-N-(5-bromo-2-methoxyphenyl)piperidine-3-carboxamide
CID 81140921
N-(5-bromo-2-methoxyphenyl)morpholine-2-carboxamide;hydrochloride
CID 119729353
N-(3-cyclopentyloxy-4-methoxyphenyl)oxolane-3-carboxamide
CID 51094450
N-(4-bromo-2-ethylphenyl)oxane-4-carboxamide
CID 81003495
N-(4-amino-2-methoxyphenyl)oxane-4-carboxamide
CID 53410709
methyl 5-methyl-2-(oxolane-3-carbonylamino)benzoate
CID 61278907
4-amino-N-(5-bromo-2-methoxyphenyl)cyclopent-2-ene-1-carboxamide
CID 79207502

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-methoxyphenyl)oxolane-3-carboxamide?
The IUPAC name of N-(5-bromo-2-methoxyphenyl)oxolane-3-carboxamide (CID 47494478) is N-(5-bromo-2-methoxyphenyl)oxolane-3-carboxamide.
What is the SMILES notation for N-(5-bromo-2-methoxyphenyl)oxolane-3-carboxamide?
The canonical SMILES for N-(5-bromo-2-methoxyphenyl)oxolane-3-carboxamide is COc1ccc(Br)cc1NC(=O)C1CCOC1.
What is the InChIKey of N-(5-bromo-2-methoxyphenyl)oxolane-3-carboxamide?
The InChIKey is FPNKNAKOXSBHIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrNO3/c1-16-11-3-2-9(13)6-10(11)14-12(15)8-4-5-17-7-8/h2-3,6,8H,4-5,7H2,1H3,(H,14,15).
What are the key properties of N-(5-bromo-2-methoxyphenyl)oxolane-3-carboxamide?
N-(5-bromo-2-methoxyphenyl)oxolane-3-carboxamide has a molecular weight of 300.15 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-methoxyphenyl)oxolane-3-carboxamide is sourced from PubChem (CID 47494478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).