5-bromo-2-chloro-N-(oxolan-3-ylmethyl)benzamide

C12H13BrClNO2 — CID 47179450

IUPAC5-bromo-2-chloro-N-(oxolan-3-ylmethyl)benzamide
SMILESO=C(NCC1CCOC1)c1cc(Br)ccc1Cl
InChIInChI=1S/C12H13BrClNO2/c13-9-1-2-11(14)10(5-9)12(16)15-6-8-3-4-17-7-8/h1-2,5,8H,3-4,6-7H2,(H,15,16)
InChIKeyJCYWPJYBDPIFPL-UHFFFAOYSA-N
MW318.60 g/mol
LogP2.87
Rot. Bonds3

About 5-bromo-2-chloro-N-(oxolan-3-ylmethyl)benzamide

5-bromo-2-chloro-N-(oxolan-3-ylmethyl)benzamide (PubChem CID 47179450) has the molecular formula C12H13BrClNO2 and a molecular weight of 318.60 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-(oxolan-3-ylmethyl)benzamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-(oxolan-3-ylmethyl)benzamide
PubChem CID47179450
Molecular FormulaC12H13BrClNO2
Molecular Weight318.60 g/mol
Exact Mass316.98
IUPAC Name5-bromo-2-chloro-N-(oxolan-3-ylmethyl)benzamide
SMILESO=C(NCC1CCOC1)c1cc(Br)ccc1Cl
InChIInChI=1S/C12H13BrClNO2/c13-9-1-2-11(14)10(5-9)12(16)15-6-8-3-4-17-7-8/h1-2,5,8H,3-4,6-7H2,(H,15,16)
InChIKeyJCYWPJYBDPIFPL-UHFFFAOYSA-N
XLogP2.87
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.60
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-2-chloro-N-(cyclobutylmethyl)benzamide
CID 38655696
5-bromo-2-chloro-N-[(3-chlorocyclopentyl)methyl]benzamide
CID 106126328
4-amino-2-chloro-N-(oxolan-3-ylmethyl)benzamide
CID 61112400
5-bromo-2-chloro-N-[(3-hydroxycyclopentyl)methyl]benzamide
CID 103280349
5-bromo-2-chloro-N-[(1,1-dioxothiolan-3-yl)methyl]benzamide
CID 47156896
5-bromo-2-chloro-N-[(3-hydroxycyclohexyl)methyl]benzamide
CID 103690984
5-chloro-2-(methylamino)-N-(oxolan-3-ylmethyl)pyridine-4-carboxamide
CID 114923351
4-chloro-3-(oxan-3-ylmethylcarbamoyl)benzenesulfonyl chloride
CID 65396604
2,4-dihydroxy-N-(oxolan-3-ylmethyl)benzamide
CID 103614166
2-chloro-4-fluoro-N-(oxolan-3-ylmethyl)-5-sulfamoylbenzamide
CID 65387506
4-bromo-N-[[(3S)-oxolan-3-yl]methyl]-1H-pyrrole-2-carboxamide
CID 93318154
4-chloro-N-(oxolan-3-ylmethyl)-3-sulfamoylbenzamide
CID 65388082

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-(oxolan-3-ylmethyl)benzamide?
The IUPAC name of 5-bromo-2-chloro-N-(oxolan-3-ylmethyl)benzamide (CID 47179450) is 5-bromo-2-chloro-N-(oxolan-3-ylmethyl)benzamide.
What is the SMILES notation for 5-bromo-2-chloro-N-(oxolan-3-ylmethyl)benzamide?
The canonical SMILES for 5-bromo-2-chloro-N-(oxolan-3-ylmethyl)benzamide is O=C(NCC1CCOC1)c1cc(Br)ccc1Cl.
What is the InChIKey of 5-bromo-2-chloro-N-(oxolan-3-ylmethyl)benzamide?
The InChIKey is JCYWPJYBDPIFPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrClNO2/c13-9-1-2-11(14)10(5-9)12(16)15-6-8-3-4-17-7-8/h1-2,5,8H,3-4,6-7H2,(H,15,16).
What are the key properties of 5-bromo-2-chloro-N-(oxolan-3-ylmethyl)benzamide?
5-bromo-2-chloro-N-(oxolan-3-ylmethyl)benzamide has a molecular weight of 318.60 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-(oxolan-3-ylmethyl)benzamide is sourced from PubChem (CID 47179450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).