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

C13H15BrClNO2 — CID 113286146

IUPAC3-bromo-5-chloro-N-[2-(oxolan-2-yl)ethyl]benzamide
SMILESO=C(NCCC1CCCO1)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C13H15BrClNO2/c14-10-6-9(7-11(15)8-10)13(17)16-4-3-12-2-1-5-18-12/h6-8,12H,1-5H2,(H,16,17)
InChIKeyMXSBLEKAOZJEJA-UHFFFAOYSA-N
MW332.63 g/mol
LogP3.40
Rot. Bonds4

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

3-bromo-5-chloro-N-[2-(oxolan-2-yl)ethyl]benzamide (PubChem CID 113286146) has the molecular formula C13H15BrClNO2 and a molecular weight of 332.63 g/mol. Its IUPAC name is 3-bromo-5-chloro-N-[2-(oxolan-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-bromo-5-chloro-N-[2-(oxolan-2-yl)ethyl]benzamide
PubChem CID113286146
Molecular FormulaC13H15BrClNO2
Molecular Weight332.63 g/mol
Exact Mass331.00
IUPAC Name3-bromo-5-chloro-N-[2-(oxolan-2-yl)ethyl]benzamide
SMILESO=C(NCCC1CCCO1)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C13H15BrClNO2/c14-10-6-9(7-11(15)8-10)13(17)16-4-3-12-2-1-5-18-12/h6-8,12H,1-5H2,(H,16,17)
InChIKeyMXSBLEKAOZJEJA-UHFFFAOYSA-N
XLogP3.40
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.63
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-5-[2-(oxolan-2-yl)ethylcarbamoyl]benzenesulfonyl chloride
CID 65395828
2-amino-6-chloro-N-[2-(oxolan-2-yl)ethyl]pyridine-4-carboxamide
CID 55042052
2-bromo-5-chloro-N-[2-(oxan-2-yl)ethyl]benzamide
CID 113362862
5-chloro-N-[2-(oxolan-2-yl)ethyl]-1,3,4-thiadiazole-2-carboxamide
CID 80625558
4-chloro-2-fluoro-N-[2-(oxolan-2-yl)ethyl]benzamide
CID 42950494
2-chloro-6-hydrazinyl-N-[2-(oxolan-2-yl)ethyl]pyridine-4-carboxamide
CID 62249166
2-chloro-6-methyl-N-[2-(oxan-2-yl)ethyl]pyridine-4-carboxamide
CID 104952816
3-amino-N-[2-(oxolan-2-yl)ethyl]benzamide
CID 54915842
2-chloro-5-[2-(oxolan-2-yl)ethylcarbamoyl]benzenesulfonyl chloride
CID 65370822
methyl 3-[2-(oxolan-2-yl)ethylcarbamoyl]benzoate
CID 51086480
3-amino-4-methyl-N-[2-(oxolan-2-yl)ethyl]benzamide
CID 54915859
5,6-dichloro-N-[2-(oxan-2-yl)ethyl]pyridine-3-carboxamide
CID 103993210

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloro-N-[2-(oxolan-2-yl)ethyl]benzamide?
The IUPAC name of 3-bromo-5-chloro-N-[2-(oxolan-2-yl)ethyl]benzamide (CID 113286146) is 3-bromo-5-chloro-N-[2-(oxolan-2-yl)ethyl]benzamide.
What is the SMILES notation for 3-bromo-5-chloro-N-[2-(oxolan-2-yl)ethyl]benzamide?
The canonical SMILES for 3-bromo-5-chloro-N-[2-(oxolan-2-yl)ethyl]benzamide is O=C(NCCC1CCCO1)c1cc(Cl)cc(Br)c1.
What is the InChIKey of 3-bromo-5-chloro-N-[2-(oxolan-2-yl)ethyl]benzamide?
The InChIKey is MXSBLEKAOZJEJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrClNO2/c14-10-6-9(7-11(15)8-10)13(17)16-4-3-12-2-1-5-18-12/h6-8,12H,1-5H2,(H,16,17).
What are the key properties of 3-bromo-5-chloro-N-[2-(oxolan-2-yl)ethyl]benzamide?
3-bromo-5-chloro-N-[2-(oxolan-2-yl)ethyl]benzamide has a molecular weight of 332.63 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-chloro-N-[2-(oxolan-2-yl)ethyl]benzamide is sourced from PubChem (CID 113286146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).