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

C14H17BrClNO2 — CID 113362862

IUPAC2-bromo-5-chloro-N-[2-(oxan-2-yl)ethyl]benzamide
SMILESO=C(NCCC1CCCCO1)c1cc(Cl)ccc1Br
InChIInChI=1S/C14H17BrClNO2/c15-13-5-4-10(16)9-12(13)14(18)17-7-6-11-3-1-2-8-19-11/h4-5,9,11H,1-3,6-8H2,(H,17,18)
InChIKeyAKHMXBOUFOGWPX-UHFFFAOYSA-N
MW346.65 g/mol
LogP3.79
Rot. Bonds4

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

2-bromo-5-chloro-N-[2-(oxan-2-yl)ethyl]benzamide (PubChem CID 113362862) has the molecular formula C14H17BrClNO2 and a molecular weight of 346.65 g/mol. Its IUPAC name is 2-bromo-5-chloro-N-[2-(oxan-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-bromo-5-chloro-N-[2-(oxan-2-yl)ethyl]benzamide
PubChem CID113362862
Molecular FormulaC14H17BrClNO2
Molecular Weight346.65 g/mol
Exact Mass345.01
IUPAC Name2-bromo-5-chloro-N-[2-(oxan-2-yl)ethyl]benzamide
SMILESO=C(NCCC1CCCCO1)c1cc(Cl)ccc1Br
InChIInChI=1S/C14H17BrClNO2/c15-13-5-4-10(16)9-12(13)14(18)17-7-6-11-3-1-2-8-19-11/h4-5,9,11H,1-3,6-8H2,(H,17,18)
InChIKeyAKHMXBOUFOGWPX-UHFFFAOYSA-N
XLogP3.79
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.65
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-2-fluoro-N-[2-(oxolan-2-yl)ethyl]benzamide
CID 42950494
3-bromo-5-chloro-N-[2-(oxolan-2-yl)ethyl]benzamide
CID 113286146
2-iodo-N-[2-(oxan-2-yl)ethyl]benzamide
CID 103993683
5,6-dichloro-N-[2-(oxan-2-yl)ethyl]pyridine-3-carboxamide
CID 103993210
4-bromo-3-(oxan-2-ylmethylcarbamoyl)benzenesulfonyl chloride
CID 65370814
3,4-dichloro-2-hydroxy-N-[2-[(2S)-oxolan-2-yl]ethyl]benzamide
CID 97010668
4-[2-(oxan-2-yl)ethylcarbamoyl]benzoic acid
CID 106704122
2-bromo-N-(6-bromohexyl)-5-chlorobenzamide
CID 114026635
2-chloro-6-fluoro-N-[2-(oxolan-2-yl)ethyl]benzamide
CID 110731260
4-chloro-3-[2-(oxolan-2-yl)ethylcarbamoyl]benzenesulfonyl chloride
CID 65372937
4-amino-N-[2-(oxan-2-yl)ethyl]benzamide
CID 83633238
3-iodo-N-[2-(oxan-2-yl)ethyl]benzamide
CID 103993198

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-chloro-N-[2-(oxan-2-yl)ethyl]benzamide?
The IUPAC name of 2-bromo-5-chloro-N-[2-(oxan-2-yl)ethyl]benzamide (CID 113362862) is 2-bromo-5-chloro-N-[2-(oxan-2-yl)ethyl]benzamide.
What is the SMILES notation for 2-bromo-5-chloro-N-[2-(oxan-2-yl)ethyl]benzamide?
The canonical SMILES for 2-bromo-5-chloro-N-[2-(oxan-2-yl)ethyl]benzamide is O=C(NCCC1CCCCO1)c1cc(Cl)ccc1Br.
What is the InChIKey of 2-bromo-5-chloro-N-[2-(oxan-2-yl)ethyl]benzamide?
The InChIKey is AKHMXBOUFOGWPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrClNO2/c15-13-5-4-10(16)9-12(13)14(18)17-7-6-11-3-1-2-8-19-11/h4-5,9,11H,1-3,6-8H2,(H,17,18).
What are the key properties of 2-bromo-5-chloro-N-[2-(oxan-2-yl)ethyl]benzamide?
2-bromo-5-chloro-N-[2-(oxan-2-yl)ethyl]benzamide has a molecular weight of 346.65 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-chloro-N-[2-(oxan-2-yl)ethyl]benzamide is sourced from PubChem (CID 113362862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).