N-(2-benzoyl-4-bromophenyl)-2-morpholin-4-ylacetamide

C19H19BrN2O3 — CID 1106516

IUPACN-(2-benzoyl-4-bromophenyl)-2-morpholin-4-ylacetamide
SMILESO=C(CN1CCOCC1)Nc1ccc(Br)cc1C(=O)c1ccccc1
InChIInChI=1S/C19H19BrN2O3/c20-15-6-7-17(21-18(23)13-22-8-10-25-11-9-22)16(12-15)19(24)14-4-2-1-3-5-14/h1-7,12H,8-11,13H2,(H,21,23)
InChIKeyNWEXMLZZPPOAIQ-UHFFFAOYSA-N
MW403.28 g/mol
LogP2.95
Rot. Bonds5

About N-(2-benzoyl-4-bromophenyl)-2-morpholin-4-ylacetamide

N-(2-benzoyl-4-bromophenyl)-2-morpholin-4-ylacetamide (PubChem CID 1106516) has the molecular formula C19H19BrN2O3 and a molecular weight of 403.28 g/mol. Its IUPAC name is N-(2-benzoyl-4-bromophenyl)-2-morpholin-4-ylacetamide.

Molecular Properties

Compound NameN-(2-benzoyl-4-bromophenyl)-2-morpholin-4-ylacetamide
PubChem CID1106516
Molecular FormulaC19H19BrN2O3
Molecular Weight403.28 g/mol
Exact Mass402.06
IUPAC NameN-(2-benzoyl-4-bromophenyl)-2-morpholin-4-ylacetamide
SMILESO=C(CN1CCOCC1)Nc1ccc(Br)cc1C(=O)c1ccccc1
InChIInChI=1S/C19H19BrN2O3/c20-15-6-7-17(21-18(23)13-22-8-10-25-11-9-22)16(12-15)19(24)14-4-2-1-3-5-14/h1-7,12H,8-11,13H2,(H,21,23)
InChIKeyNWEXMLZZPPOAIQ-UHFFFAOYSA-N
XLogP2.95
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.28
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-benzoyl-4-bromophenyl)-2-morpholin-4-ylacetamide?
The IUPAC name of N-(2-benzoyl-4-bromophenyl)-2-morpholin-4-ylacetamide (CID 1106516) is N-(2-benzoyl-4-bromophenyl)-2-morpholin-4-ylacetamide.
What is the SMILES notation for N-(2-benzoyl-4-bromophenyl)-2-morpholin-4-ylacetamide?
The canonical SMILES for N-(2-benzoyl-4-bromophenyl)-2-morpholin-4-ylacetamide is O=C(CN1CCOCC1)Nc1ccc(Br)cc1C(=O)c1ccccc1.
What is the InChIKey of N-(2-benzoyl-4-bromophenyl)-2-morpholin-4-ylacetamide?
The InChIKey is NWEXMLZZPPOAIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrN2O3/c20-15-6-7-17(21-18(23)13-22-8-10-25-11-9-22)16(12-15)19(24)14-4-2-1-3-5-14/h1-7,12H,8-11,13H2,(H,21,23).
What are the key properties of N-(2-benzoyl-4-bromophenyl)-2-morpholin-4-ylacetamide?
N-(2-benzoyl-4-bromophenyl)-2-morpholin-4-ylacetamide has a molecular weight of 403.28 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzoyl-4-bromophenyl)-2-morpholin-4-ylacetamide is sourced from PubChem (CID 1106516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).