2-bromo-5-methoxy-N-[1-(oxolan-3-yl)ethyl]benzamide

C14H18BrNO3 — CID 113241573

IUPAC2-bromo-5-methoxy-N-[1-(oxolan-3-yl)ethyl]benzamide
SMILESCOc1ccc(Br)c(C(=O)NC(C)C2CCOC2)c1
InChIInChI=1S/C14H18BrNO3/c1-9(10-5-6-19-8-10)16-14(17)12-7-11(18-2)3-4-13(12)15/h3-4,7,9-10H,5-6,8H2,1-2H3,(H,16,17)
InChIKeyWIMNVGAGABBRND-UHFFFAOYSA-N
MW328.21 g/mol
LogP2.61
Rot. Bonds4

About 2-bromo-5-methoxy-N-[1-(oxolan-3-yl)ethyl]benzamide

2-bromo-5-methoxy-N-[1-(oxolan-3-yl)ethyl]benzamide (PubChem CID 113241573) has the molecular formula C14H18BrNO3 and a molecular weight of 328.21 g/mol. Its IUPAC name is 2-bromo-5-methoxy-N-[1-(oxolan-3-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-bromo-5-methoxy-N-[1-(oxolan-3-yl)ethyl]benzamide
PubChem CID113241573
Molecular FormulaC14H18BrNO3
Molecular Weight328.21 g/mol
Exact Mass327.05
IUPAC Name2-bromo-5-methoxy-N-[1-(oxolan-3-yl)ethyl]benzamide
SMILESCOc1ccc(Br)c(C(=O)NC(C)C2CCOC2)c1
InChIInChI=1S/C14H18BrNO3/c1-9(10-5-6-19-8-10)16-14(17)12-7-11(18-2)3-4-13(12)15/h3-4,7,9-10H,5-6,8H2,1-2H3,(H,16,17)
InChIKeyWIMNVGAGABBRND-UHFFFAOYSA-N
XLogP2.61
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.21
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-bromo-5-methoxybenzamide
CID 98307224
3-bromo-2-chloro-N-[1-(oxolan-3-yl)ethyl]benzamide
CID 103990950
2-chloro-5-hydroxy-N-[1-(oxolan-3-yl)ethyl]benzamide
CID 106502198
5-chloro-2-fluoro-N-[1-(oxolan-3-yl)ethyl]benzamide
CID 113241572
2-amino-N-[(1R)-1-cyclohexylethyl]-5-methoxybenzamide
CID 115413669
[2-[[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl] 2-bromo-5-methoxybenzoate
CID 8809046
2-(2-bromo-5-chlorophenyl)-N-[(1R)-1-[(3S)-oxolan-3-yl]ethyl]acetamide
CID 129380773
methyl 2-[(2-bromo-5-methoxybenzoyl)amino]-3-methylbutanoate
CID 43404116
(2-bromo-4-methoxyphenyl)-(oxolan-3-yl)methanol
CID 61277701
2-bromo-6-fluoro-N-[1-(oxolan-3-yl)ethyl]benzamide
CID 113342855
2-bromo-N-[(1S)-1-(4-bromophenyl)ethyl]-5-methoxybenzamide
CID 8752261
2-(2-bromo-5-methoxyphenyl)-1-(oxolan-3-yl)ethanol
CID 65327756

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-methoxy-N-[1-(oxolan-3-yl)ethyl]benzamide?
The IUPAC name of 2-bromo-5-methoxy-N-[1-(oxolan-3-yl)ethyl]benzamide (CID 113241573) is 2-bromo-5-methoxy-N-[1-(oxolan-3-yl)ethyl]benzamide.
What is the SMILES notation for 2-bromo-5-methoxy-N-[1-(oxolan-3-yl)ethyl]benzamide?
The canonical SMILES for 2-bromo-5-methoxy-N-[1-(oxolan-3-yl)ethyl]benzamide is COc1ccc(Br)c(C(=O)NC(C)C2CCOC2)c1.
What is the InChIKey of 2-bromo-5-methoxy-N-[1-(oxolan-3-yl)ethyl]benzamide?
The InChIKey is WIMNVGAGABBRND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO3/c1-9(10-5-6-19-8-10)16-14(17)12-7-11(18-2)3-4-13(12)15/h3-4,7,9-10H,5-6,8H2,1-2H3,(H,16,17).
What are the key properties of 2-bromo-5-methoxy-N-[1-(oxolan-3-yl)ethyl]benzamide?
2-bromo-5-methoxy-N-[1-(oxolan-3-yl)ethyl]benzamide has a molecular weight of 328.21 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-methoxy-N-[1-(oxolan-3-yl)ethyl]benzamide is sourced from PubChem (CID 113241573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).