3-bromo-N-ethyl-5-methyl-N-(oxolan-3-ylmethyl)benzamide

C15H20BrNO2 — CID 104852419

IUPAC3-bromo-N-ethyl-5-methyl-N-(oxolan-3-ylmethyl)benzamide
SMILESCCN(CC1CCOC1)C(=O)c1cc(C)cc(Br)c1
InChIInChI=1S/C15H20BrNO2/c1-3-17(9-12-4-5-19-10-12)15(18)13-6-11(2)7-14(16)8-13/h6-8,12H,3-5,9-10H2,1-2H3
InChIKeyABNDUPPFVHTDDX-UHFFFAOYSA-N
MW326.23 g/mol
LogP3.26
Rot. Bonds4

About 3-bromo-N-ethyl-5-methyl-N-(oxolan-3-ylmethyl)benzamide

3-bromo-N-ethyl-5-methyl-N-(oxolan-3-ylmethyl)benzamide (PubChem CID 104852419) has the molecular formula C15H20BrNO2 and a molecular weight of 326.23 g/mol. Its IUPAC name is 3-bromo-N-ethyl-5-methyl-N-(oxolan-3-ylmethyl)benzamide.

Molecular Properties

Compound Name3-bromo-N-ethyl-5-methyl-N-(oxolan-3-ylmethyl)benzamide
PubChem CID104852419
Molecular FormulaC15H20BrNO2
Molecular Weight326.23 g/mol
Exact Mass325.07
IUPAC Name3-bromo-N-ethyl-5-methyl-N-(oxolan-3-ylmethyl)benzamide
SMILESCCN(CC1CCOC1)C(=O)c1cc(C)cc(Br)c1
InChIInChI=1S/C15H20BrNO2/c1-3-17(9-12-4-5-19-10-12)15(18)13-6-11(2)7-14(16)8-13/h6-8,12H,3-5,9-10H2,1-2H3
InChIKeyABNDUPPFVHTDDX-UHFFFAOYSA-N
XLogP3.26
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.23
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-N-ethyl-4-fluoro-N-(oxolan-3-ylmethyl)benzamide
CID 103707104
N-ethyl-5-methoxy-N-[[(3S)-oxolan-3-yl]methyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 95127027
1-(4-bromophenyl)-N-ethyl-N-(oxolan-3-ylmethyl)pyrazole-4-carboxamide
CID 51124015
3-amino-4-(dimethylamino)-N-ethyl-N-(oxolan-3-ylmethyl)benzamide
CID 61114252
4-(dimethylsulfamoyl)-N-ethyl-N-[[(3S)-oxolan-3-yl]methyl]benzamide
CID 94805874
3-bromo-N-ethyl-5-methyl-N-propylbenzamide
CID 104851893
3-amino-N-ethyl-4-methoxy-N-(oxolan-3-ylmethyl)benzamide
CID 61115387
N-ethyl-2-fluoro-3-methyl-N-(oxolan-3-ylmethyl)benzamide
CID 80719027
3-bromo-5-methyl-N-(piperidin-4-ylmethyl)-N-propylbenzamide
CID 115999695
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-ethyl-N-[[(3S)-oxolan-3-yl]methyl]benzamide
CID 95283465
N-[2-[ethyl-[[(3S)-oxolan-3-yl]methyl]amino]-2-oxoethyl]-3,4-dimethylbenzamide
CID 94823366
N-ethyl-2-iodo-3-methyl-N-(oxolan-3-ylmethyl)benzamide
CID 113223582

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-ethyl-5-methyl-N-(oxolan-3-ylmethyl)benzamide?
The IUPAC name of 3-bromo-N-ethyl-5-methyl-N-(oxolan-3-ylmethyl)benzamide (CID 104852419) is 3-bromo-N-ethyl-5-methyl-N-(oxolan-3-ylmethyl)benzamide.
What is the SMILES notation for 3-bromo-N-ethyl-5-methyl-N-(oxolan-3-ylmethyl)benzamide?
The canonical SMILES for 3-bromo-N-ethyl-5-methyl-N-(oxolan-3-ylmethyl)benzamide is CCN(CC1CCOC1)C(=O)c1cc(C)cc(Br)c1.
What is the InChIKey of 3-bromo-N-ethyl-5-methyl-N-(oxolan-3-ylmethyl)benzamide?
The InChIKey is ABNDUPPFVHTDDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO2/c1-3-17(9-12-4-5-19-10-12)15(18)13-6-11(2)7-14(16)8-13/h6-8,12H,3-5,9-10H2,1-2H3.
What are the key properties of 3-bromo-N-ethyl-5-methyl-N-(oxolan-3-ylmethyl)benzamide?
3-bromo-N-ethyl-5-methyl-N-(oxolan-3-ylmethyl)benzamide has a molecular weight of 326.23 g/mol, XLogP of 3.26, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-ethyl-5-methyl-N-(oxolan-3-ylmethyl)benzamide is sourced from PubChem (CID 104852419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).