3-bromo-4-chloro-N-methyl-N-(2-methyloxolan-3-yl)benzamide

C13H15BrClNO2 — CID 114025919

IUPAC3-bromo-4-chloro-N-methyl-N-(2-methyloxolan-3-yl)benzamide
SMILESCC1OCCC1N(C)C(=O)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C13H15BrClNO2/c1-8-12(5-6-18-8)16(2)13(17)9-3-4-11(15)10(14)7-9/h3-4,7-8,12H,5-6H2,1-2H3
InChIKeyAXZBVVBWTZIJBJ-UHFFFAOYSA-N
MW332.63 g/mol
LogP3.35
Rot. Bonds2

About 3-bromo-4-chloro-N-methyl-N-(2-methyloxolan-3-yl)benzamide

3-bromo-4-chloro-N-methyl-N-(2-methyloxolan-3-yl)benzamide (PubChem CID 114025919) has the molecular formula C13H15BrClNO2 and a molecular weight of 332.63 g/mol. Its IUPAC name is 3-bromo-4-chloro-N-methyl-N-(2-methyloxolan-3-yl)benzamide.

Molecular Properties

Compound Name3-bromo-4-chloro-N-methyl-N-(2-methyloxolan-3-yl)benzamide
PubChem CID114025919
Molecular FormulaC13H15BrClNO2
Molecular Weight332.63 g/mol
Exact Mass331.00
IUPAC Name3-bromo-4-chloro-N-methyl-N-(2-methyloxolan-3-yl)benzamide
SMILESCC1OCCC1N(C)C(=O)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C13H15BrClNO2/c1-8-12(5-6-18-8)16(2)13(17)9-3-4-11(15)10(14)7-9/h3-4,7-8,12H,5-6H2,1-2H3
InChIKeyAXZBVVBWTZIJBJ-UHFFFAOYSA-N
XLogP3.35
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.63
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5,6-dichloro-N-methyl-N-(2-methyloxolan-3-yl)pyridine-3-carboxamide
CID 82734080
2-amino-N-methyl-N-(2-methyloxolan-3-yl)pyridine-4-carboxamide
CID 82743180
2-chloro-N-methyl-N-(2-methyloxolan-3-yl)-5-nitrobenzamide
CID 82734656
5-chloro-2-hydroxy-N-methyl-N-(2-methyloxolan-3-yl)benzamide
CID 82739696
5-bromo-N-methyl-N-(2-methyloxolan-3-yl)pyridine-2-carboxamide
CID 82738552
2-amino-5-bromo-N-methyl-N-(2-methyloxolan-3-yl)benzamide
CID 82742095
3-bromo-4-chloro-N-(1-ethylpiperidin-4-yl)-N-methylbenzamide
CID 103841606
2-chloro-N-methyl-6-(methylamino)-N-(2-methyloxolan-3-yl)pyridine-4-carboxamide
CID 82743811
3-(2-aminoethyl)-N-methyl-N-(2-methyloxolan-3-yl)benzamide
CID 82741453
N,3-dimethyl-N-(2-methyloxolan-3-yl)-4-(propylamino)benzamide
CID 82734789
4-fluoro-N,2-dimethyl-N-(2-methyloxolan-3-yl)benzamide
CID 113399934
4-chloro-N-methyl-N-(2-methyloxolan-3-yl)quinoline-2-carboxamide
CID 82736181

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-chloro-N-methyl-N-(2-methyloxolan-3-yl)benzamide?
The IUPAC name of 3-bromo-4-chloro-N-methyl-N-(2-methyloxolan-3-yl)benzamide (CID 114025919) is 3-bromo-4-chloro-N-methyl-N-(2-methyloxolan-3-yl)benzamide.
What is the SMILES notation for 3-bromo-4-chloro-N-methyl-N-(2-methyloxolan-3-yl)benzamide?
The canonical SMILES for 3-bromo-4-chloro-N-methyl-N-(2-methyloxolan-3-yl)benzamide is CC1OCCC1N(C)C(=O)c1ccc(Cl)c(Br)c1.
What is the InChIKey of 3-bromo-4-chloro-N-methyl-N-(2-methyloxolan-3-yl)benzamide?
The InChIKey is AXZBVVBWTZIJBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrClNO2/c1-8-12(5-6-18-8)16(2)13(17)9-3-4-11(15)10(14)7-9/h3-4,7-8,12H,5-6H2,1-2H3.
What are the key properties of 3-bromo-4-chloro-N-methyl-N-(2-methyloxolan-3-yl)benzamide?
3-bromo-4-chloro-N-methyl-N-(2-methyloxolan-3-yl)benzamide has a molecular weight of 332.63 g/mol, XLogP of 3.35, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-chloro-N-methyl-N-(2-methyloxolan-3-yl)benzamide is sourced from PubChem (CID 114025919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).