4-bromo-N-(1-morpholin-4-yl-1-oxopropan-2-yl)benzamide

C14H17BrN2O3 — CID 47098418

IUPAC4-bromo-N-(1-morpholin-4-yl-1-oxopropan-2-yl)benzamide
SMILESCC(NC(=O)c1ccc(Br)cc1)C(=O)N1CCOCC1
InChIInChI=1S/C14H17BrN2O3/c1-10(14(19)17-6-8-20-9-7-17)16-13(18)11-2-4-12(15)5-3-11/h2-5,10H,6-9H2,1H3,(H,16,18)
InChIKeyZRNNPFLRBOWECZ-UHFFFAOYSA-N
MW341.21 g/mol
LogP1.43
Rot. Bonds3

About 4-bromo-N-(1-morpholin-4-yl-1-oxopropan-2-yl)benzamide

4-bromo-N-(1-morpholin-4-yl-1-oxopropan-2-yl)benzamide (PubChem CID 47098418) has the molecular formula C14H17BrN2O3 and a molecular weight of 341.21 g/mol. Its IUPAC name is 4-bromo-N-(1-morpholin-4-yl-1-oxopropan-2-yl)benzamide.

Molecular Properties

Compound Name4-bromo-N-(1-morpholin-4-yl-1-oxopropan-2-yl)benzamide
PubChem CID47098418
Molecular FormulaC14H17BrN2O3
Molecular Weight341.21 g/mol
Exact Mass340.04
IUPAC Name4-bromo-N-(1-morpholin-4-yl-1-oxopropan-2-yl)benzamide
SMILESCC(NC(=O)c1ccc(Br)cc1)C(=O)N1CCOCC1
InChIInChI=1S/C14H17BrN2O3/c1-10(14(19)17-6-8-20-9-7-17)16-13(18)11-2-4-12(15)5-3-11/h2-5,10H,6-9H2,1H3,(H,16,18)
InChIKeyZRNNPFLRBOWECZ-UHFFFAOYSA-N
XLogP1.43
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.21
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(1-morpholin-4-yl-1-oxopropan-2-yl)benzamide?
The IUPAC name of 4-bromo-N-(1-morpholin-4-yl-1-oxopropan-2-yl)benzamide (CID 47098418) is 4-bromo-N-(1-morpholin-4-yl-1-oxopropan-2-yl)benzamide.
What is the SMILES notation for 4-bromo-N-(1-morpholin-4-yl-1-oxopropan-2-yl)benzamide?
The canonical SMILES for 4-bromo-N-(1-morpholin-4-yl-1-oxopropan-2-yl)benzamide is CC(NC(=O)c1ccc(Br)cc1)C(=O)N1CCOCC1.
What is the InChIKey of 4-bromo-N-(1-morpholin-4-yl-1-oxopropan-2-yl)benzamide?
The InChIKey is ZRNNPFLRBOWECZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O3/c1-10(14(19)17-6-8-20-9-7-17)16-13(18)11-2-4-12(15)5-3-11/h2-5,10H,6-9H2,1H3,(H,16,18).
What are the key properties of 4-bromo-N-(1-morpholin-4-yl-1-oxopropan-2-yl)benzamide?
4-bromo-N-(1-morpholin-4-yl-1-oxopropan-2-yl)benzamide has a molecular weight of 341.21 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(1-morpholin-4-yl-1-oxopropan-2-yl)benzamide is sourced from PubChem (CID 47098418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).