N-(2-bromo-3-chlorophenyl)oxolane-3-carboxamide

C11H11BrClNO2 — CID 103479847

IUPACN-(2-bromo-3-chlorophenyl)oxolane-3-carboxamide
SMILESO=C(Nc1cccc(Cl)c1Br)C1CCOC1
InChIInChI=1S/C11H11BrClNO2/c12-10-8(13)2-1-3-9(10)14-11(15)7-4-5-16-6-7/h1-3,7H,4-6H2,(H,14,15)
InChIKeyRQACSPRJRBCOIZ-UHFFFAOYSA-N
MW304.57 g/mol
LogP3.08
Rot. Bonds2

About N-(2-bromo-3-chlorophenyl)oxolane-3-carboxamide

N-(2-bromo-3-chlorophenyl)oxolane-3-carboxamide (PubChem CID 103479847) has the molecular formula C11H11BrClNO2 and a molecular weight of 304.57 g/mol. Its IUPAC name is N-(2-bromo-3-chlorophenyl)oxolane-3-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-3-chlorophenyl)oxolane-3-carboxamide
PubChem CID103479847
Molecular FormulaC11H11BrClNO2
Molecular Weight304.57 g/mol
Exact Mass302.97
IUPAC NameN-(2-bromo-3-chlorophenyl)oxolane-3-carboxamide
SMILESO=C(Nc1cccc(Cl)c1Br)C1CCOC1
InChIInChI=1S/C11H11BrClNO2/c12-10-8(13)2-1-3-9(10)14-11(15)7-4-5-16-6-7/h1-3,7H,4-6H2,(H,14,15)
InChIKeyRQACSPRJRBCOIZ-UHFFFAOYSA-N
XLogP3.08
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.57
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,3-dichlorophenyl)oxolane-3-carboxamide
CID 75921085
(2S)-N-(2-bromo-3-chlorophenyl)oxolane-2-carboxamide
CID 103479904
N-(5-amino-2-chlorophenyl)oxolane-3-carboxamide
CID 61272362
N-(2-bromo-3-chlorophenyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107126797
N-(3-chlorophenyl)oxolane-3-carboxamide
CID 47443169
N-(2-bromo-3-chlorophenyl)-5-methyloxolane-2-carboxamide
CID 103479768
N-(2-bromo-3-chlorophenyl)-2-methylcyclopentane-1-carboxamide
CID 103578301
N-(5-acetyl-2-chlorophenyl)oxolane-3-carboxamide
CID 71969033
N-(2-bromo-3-chlorophenyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 103578310
N-(4-chloro-2-iodophenyl)oxolane-3-carboxamide
CID 103766842
N-(2-cyano-3-fluorophenyl)oxolane-3-carboxamide
CID 61276767
N-[2-chloro-4-[(E)-N'-hydroxycarbamimidoyl]phenyl]oxolane-3-carboxamide
CID 107809858

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-3-chlorophenyl)oxolane-3-carboxamide?
The IUPAC name of N-(2-bromo-3-chlorophenyl)oxolane-3-carboxamide (CID 103479847) is N-(2-bromo-3-chlorophenyl)oxolane-3-carboxamide.
What is the SMILES notation for N-(2-bromo-3-chlorophenyl)oxolane-3-carboxamide?
The canonical SMILES for N-(2-bromo-3-chlorophenyl)oxolane-3-carboxamide is O=C(Nc1cccc(Cl)c1Br)C1CCOC1.
What is the InChIKey of N-(2-bromo-3-chlorophenyl)oxolane-3-carboxamide?
The InChIKey is RQACSPRJRBCOIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrClNO2/c12-10-8(13)2-1-3-9(10)14-11(15)7-4-5-16-6-7/h1-3,7H,4-6H2,(H,14,15).
What are the key properties of N-(2-bromo-3-chlorophenyl)oxolane-3-carboxamide?
N-(2-bromo-3-chlorophenyl)oxolane-3-carboxamide has a molecular weight of 304.57 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-3-chlorophenyl)oxolane-3-carboxamide is sourced from PubChem (CID 103479847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).