2-bromo-N-[3-[[(2R)-oxolan-2-yl]methoxy]phenyl]benzamide

C18H18BrNO3 — CID 41444704

IUPAC2-bromo-N-[3-[[(2R)-oxolan-2-yl]methoxy]phenyl]benzamide
SMILESO=C(Nc1cccc(OC[C@H]2CCCO2)c1)c1ccccc1Br
InChIInChI=1S/C18H18BrNO3/c19-17-9-2-1-8-16(17)18(21)20-13-5-3-6-14(11-13)23-12-15-7-4-10-22-15/h1-3,5-6,8-9,11,15H,4,7,10,12H2,(H,20,21)/t15-/m1/s1
InChIKeyQTUDSLGJIGDNCY-OAHLLOKOSA-N
MW376.25 g/mol
LogP4.26
Rot. Bonds5

About 2-bromo-N-[3-[[(2R)-oxolan-2-yl]methoxy]phenyl]benzamide

2-bromo-N-[3-[[(2R)-oxolan-2-yl]methoxy]phenyl]benzamide (PubChem CID 41444704) has the molecular formula C18H18BrNO3 and a molecular weight of 376.25 g/mol. Its IUPAC name is 2-bromo-N-[3-[[(2R)-oxolan-2-yl]methoxy]phenyl]benzamide.

Molecular Properties

Compound Name2-bromo-N-[3-[[(2R)-oxolan-2-yl]methoxy]phenyl]benzamide
PubChem CID41444704
Molecular FormulaC18H18BrNO3
Molecular Weight376.25 g/mol
Exact Mass375.05
IUPAC Name2-bromo-N-[3-[[(2R)-oxolan-2-yl]methoxy]phenyl]benzamide
SMILESO=C(Nc1cccc(OC[C@H]2CCCO2)c1)c1ccccc1Br
InChIInChI=1S/C18H18BrNO3/c19-17-9-2-1-8-16(17)18(21)20-13-5-3-6-14(11-13)23-12-15-7-4-10-22-15/h1-3,5-6,8-9,11,15H,4,7,10,12H2,(H,20,21)/t15-/m1/s1
InChIKeyQTUDSLGJIGDNCY-OAHLLOKOSA-N
XLogP4.26
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.25
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-N-[3-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 17141893
N-[3-(oxolan-2-ylmethoxy)phenyl]-2-propoxybenzamide
CID 17141891
N-[3-(oxolan-2-ylmethoxy)phenyl]-2-(2-phenylethoxy)benzamide
CID 17141950
N-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 38477709
N-[3-(oxolan-2-ylmethoxy)phenyl]-3-(2-phenoxyethoxy)benzamide
CID 17141902
3-acetamido-N-[3-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 46802911
6-hydroxy-N-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]-1,3-benzodioxole-5-carboxamide
CID 51964249
2-amino-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 119284095
N-[3-(oxolan-2-ylmethoxy)phenyl]thiophene-3-carboxamide
CID 46580011
N-(3-carbamoylphenyl)-2-(oxolan-2-ylmethoxy)benzamide
CID 18103402
N-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]thiophene-2-carboxamide
CID 41444816
1-cyclopropyl-3-[3-(oxolan-2-ylmethoxy)phenyl]urea
CID 47162446

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[3-[[(2R)-oxolan-2-yl]methoxy]phenyl]benzamide?
The IUPAC name of 2-bromo-N-[3-[[(2R)-oxolan-2-yl]methoxy]phenyl]benzamide (CID 41444704) is 2-bromo-N-[3-[[(2R)-oxolan-2-yl]methoxy]phenyl]benzamide.
What is the SMILES notation for 2-bromo-N-[3-[[(2R)-oxolan-2-yl]methoxy]phenyl]benzamide?
The canonical SMILES for 2-bromo-N-[3-[[(2R)-oxolan-2-yl]methoxy]phenyl]benzamide is O=C(Nc1cccc(OC[C@H]2CCCO2)c1)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-[3-[[(2R)-oxolan-2-yl]methoxy]phenyl]benzamide?
The InChIKey is QTUDSLGJIGDNCY-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H18BrNO3/c19-17-9-2-1-8-16(17)18(21)20-13-5-3-6-14(11-13)23-12-15-7-4-10-22-15/h1-3,5-6,8-9,11,15H,4,7,10,12H2,(H,20,21)/t15-/m1/s1.
What are the key properties of 2-bromo-N-[3-[[(2R)-oxolan-2-yl]methoxy]phenyl]benzamide?
2-bromo-N-[3-[[(2R)-oxolan-2-yl]methoxy]phenyl]benzamide has a molecular weight of 376.25 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[3-[[(2R)-oxolan-2-yl]methoxy]phenyl]benzamide is sourced from PubChem (CID 41444704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).