4-bromo-N-(2,3-dimethyloxolan-3-yl)-3-methylbenzamide

C14H18BrNO2 — CID 113413534

IUPAC4-bromo-N-(2,3-dimethyloxolan-3-yl)-3-methylbenzamide
SMILESCc1cc(C(=O)NC2(C)CCOC2C)ccc1Br
InChIInChI=1S/C14H18BrNO2/c1-9-8-11(4-5-12(9)15)13(17)16-14(3)6-7-18-10(14)2/h4-5,8,10H,6-7H2,1-3H3,(H,16,17)
InChIKeyKIIUUUVZEQEKIQ-UHFFFAOYSA-N
MW312.21 g/mol
LogP3.05
Rot. Bonds2

About 4-bromo-N-(2,3-dimethyloxolan-3-yl)-3-methylbenzamide

4-bromo-N-(2,3-dimethyloxolan-3-yl)-3-methylbenzamide (PubChem CID 113413534) has the molecular formula C14H18BrNO2 and a molecular weight of 312.21 g/mol. Its IUPAC name is 4-bromo-N-(2,3-dimethyloxolan-3-yl)-3-methylbenzamide.

Molecular Properties

Compound Name4-bromo-N-(2,3-dimethyloxolan-3-yl)-3-methylbenzamide
PubChem CID113413534
Molecular FormulaC14H18BrNO2
Molecular Weight312.21 g/mol
Exact Mass311.05
IUPAC Name4-bromo-N-(2,3-dimethyloxolan-3-yl)-3-methylbenzamide
SMILESCc1cc(C(=O)NC2(C)CCOC2C)ccc1Br
InChIInChI=1S/C14H18BrNO2/c1-9-8-11(4-5-12(9)15)13(17)16-14(3)6-7-18-10(14)2/h4-5,8,10H,6-7H2,1-3H3,(H,16,17)
InChIKeyKIIUUUVZEQEKIQ-UHFFFAOYSA-N
XLogP3.05
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.21
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,3-dimethyloxolan-3-yl)-3-hydroxy-4-iodobenzamide
CID 104630748
2-amino-5-bromo-N-(2,3-dimethyloxolan-3-yl)benzamide
CID 114096556
5-bromo-2-chloro-N-[(2R,3R)-2,3-dimethyloxolan-3-yl]benzamide
CID 124679722
4-bromo-3-methyl-N-(2-methyloxolan-3-yl)benzamide
CID 115868342
4-bromo-N-[1-(hydroxymethyl)cyclopropyl]-3-methylbenzamide
CID 115877703
3-[(4-bromo-3-methylbenzoyl)amino]oxolane-3-carboxylic acid
CID 113396648
4-bromo-3-methyl-N-(1-methylcyclopropyl)sulfonylbenzamide
CID 136542591
4-bromo-3-methyl-N-(2-methyloxan-4-yl)benzamide
CID 103888174
N-(2,3-dimethyloxolan-3-yl)-2-(methylamino)benzamide
CID 114096557
5-chloro-N-(2,3-dimethyloxolan-3-yl)-2-hydrazinylbenzamide
CID 114096341
4-bromo-N-cyclopentyl-3-methylbenzamide
CID 46738751
2-bromo-1-N-(2,3-dimethyloxolan-3-yl)-5-methylbenzene-1,4-diamine
CID 114095308

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2,3-dimethyloxolan-3-yl)-3-methylbenzamide?
The IUPAC name of 4-bromo-N-(2,3-dimethyloxolan-3-yl)-3-methylbenzamide (CID 113413534) is 4-bromo-N-(2,3-dimethyloxolan-3-yl)-3-methylbenzamide.
What is the SMILES notation for 4-bromo-N-(2,3-dimethyloxolan-3-yl)-3-methylbenzamide?
The canonical SMILES for 4-bromo-N-(2,3-dimethyloxolan-3-yl)-3-methylbenzamide is Cc1cc(C(=O)NC2(C)CCOC2C)ccc1Br.
What is the InChIKey of 4-bromo-N-(2,3-dimethyloxolan-3-yl)-3-methylbenzamide?
The InChIKey is KIIUUUVZEQEKIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO2/c1-9-8-11(4-5-12(9)15)13(17)16-14(3)6-7-18-10(14)2/h4-5,8,10H,6-7H2,1-3H3,(H,16,17).
What are the key properties of 4-bromo-N-(2,3-dimethyloxolan-3-yl)-3-methylbenzamide?
4-bromo-N-(2,3-dimethyloxolan-3-yl)-3-methylbenzamide has a molecular weight of 312.21 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2,3-dimethyloxolan-3-yl)-3-methylbenzamide is sourced from PubChem (CID 113413534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).