4-bromo-N-[2-(1,3-dioxolan-2-yl)ethyl]benzamide

C12H14BrNO3 — CID 110369907

IUPAC4-bromo-N-[2-(1,3-dioxolan-2-yl)ethyl]benzamide
SMILESO=C(NCCC1OCCO1)c1ccc(Br)cc1
InChIInChI=1S/C12H14BrNO3/c13-10-3-1-9(2-4-10)12(15)14-6-5-11-16-7-8-17-11/h1-4,11H,5-8H2,(H,14,15)
InChIKeyUIJNVMGZXSSXBT-UHFFFAOYSA-N
MW300.15 g/mol
LogP1.94
Rot. Bonds4

About 4-bromo-N-[2-(1,3-dioxolan-2-yl)ethyl]benzamide

4-bromo-N-[2-(1,3-dioxolan-2-yl)ethyl]benzamide (PubChem CID 110369907) has the molecular formula C12H14BrNO3 and a molecular weight of 300.15 g/mol. Its IUPAC name is 4-bromo-N-[2-(1,3-dioxolan-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[2-(1,3-dioxolan-2-yl)ethyl]benzamide
PubChem CID110369907
Molecular FormulaC12H14BrNO3
Molecular Weight300.15 g/mol
Exact Mass299.02
IUPAC Name4-bromo-N-[2-(1,3-dioxolan-2-yl)ethyl]benzamide
SMILESO=C(NCCC1OCCO1)c1ccc(Br)cc1
InChIInChI=1S/C12H14BrNO3/c13-10-3-1-9(2-4-10)12(15)14-6-5-11-16-7-8-17-11/h1-4,11H,5-8H2,(H,14,15)
InChIKeyUIJNVMGZXSSXBT-UHFFFAOYSA-N
XLogP1.94
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.15
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(1,3-dioxolan-2-yl)ethyl]benzamide
CID 14952151
N-[2-(1,3-dioxolan-2-yl)ethyl]-3,4-difluorobenzamide
CID 110369952
4-bromo-N-(2-cyclohexylethyl)benzamide
CID 63524562
1-(4-bromophenyl)-2-(1,3-dioxolan-2-yl)ethanone
CID 66570596
4-bromo-N-[2-(cyclopropanecarbonylamino)ethyl]benzamide
CID 47098981
4-bromo-N-[2-(cyclopropylcarbamoylamino)ethyl]benzamide
CID 47322636
4-bromo-N-[3-(2-cyclohexylethylamino)-3-oxopropyl]benzamide
CID 46400985
4-bromo-N-(3-morpholin-4-ylpropyl)benzamide
CID 2298646
4-bromo-N-pentylbenzamide
CID 4167913
N-[2-(1,3-dioxan-2-yl)ethyl]-2-fluorobenzamide
CID 110370059
4-bromo-N-(2-cyclopentyloxyethyl)benzamide
CID 61149535
N-[2-(1-adamantyl)ethyl]-4-bromobenzamide
CID 2919468

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[2-(1,3-dioxolan-2-yl)ethyl]benzamide?
The IUPAC name of 4-bromo-N-[2-(1,3-dioxolan-2-yl)ethyl]benzamide (CID 110369907) is 4-bromo-N-[2-(1,3-dioxolan-2-yl)ethyl]benzamide.
What is the SMILES notation for 4-bromo-N-[2-(1,3-dioxolan-2-yl)ethyl]benzamide?
The canonical SMILES for 4-bromo-N-[2-(1,3-dioxolan-2-yl)ethyl]benzamide is O=C(NCCC1OCCO1)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-[2-(1,3-dioxolan-2-yl)ethyl]benzamide?
The InChIKey is UIJNVMGZXSSXBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrNO3/c13-10-3-1-9(2-4-10)12(15)14-6-5-11-16-7-8-17-11/h1-4,11H,5-8H2,(H,14,15).
What are the key properties of 4-bromo-N-[2-(1,3-dioxolan-2-yl)ethyl]benzamide?
4-bromo-N-[2-(1,3-dioxolan-2-yl)ethyl]benzamide has a molecular weight of 300.15 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[2-(1,3-dioxolan-2-yl)ethyl]benzamide is sourced from PubChem (CID 110369907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).