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

C20H21BrN2O3 — CID 2927331

IUPACN-(2-benzoyl-4-bromophenyl)-2-morpholin-4-ylpropanamide
SMILESCC(C(=O)Nc1ccc(Br)cc1C(=O)c1ccccc1)N1CCOCC1
InChIInChI=1S/C20H21BrN2O3/c1-14(23-9-11-26-12-10-23)20(25)22-18-8-7-16(21)13-17(18)19(24)15-5-3-2-4-6-15/h2-8,13-14H,9-12H2,1H3,(H,22,25)
InChIKeyJKGQVILYAVYPHO-UHFFFAOYSA-N
MW417.30 g/mol
LogP3.34
Rot. Bonds5

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

N-(2-benzoyl-4-bromophenyl)-2-morpholin-4-ylpropanamide (PubChem CID 2927331) has the molecular formula C20H21BrN2O3 and a molecular weight of 417.30 g/mol. Its IUPAC name is N-(2-benzoyl-4-bromophenyl)-2-morpholin-4-ylpropanamide.

Molecular Properties

Compound NameN-(2-benzoyl-4-bromophenyl)-2-morpholin-4-ylpropanamide
PubChem CID2927331
Molecular FormulaC20H21BrN2O3
Molecular Weight417.30 g/mol
Exact Mass416.07
IUPAC NameN-(2-benzoyl-4-bromophenyl)-2-morpholin-4-ylpropanamide
SMILESCC(C(=O)Nc1ccc(Br)cc1C(=O)c1ccccc1)N1CCOCC1
InChIInChI=1S/C20H21BrN2O3/c1-14(23-9-11-26-12-10-23)20(25)22-18-8-7-16(21)13-17(18)19(24)15-5-3-2-4-6-15/h2-8,13-14H,9-12H2,1H3,(H,22,25)
InChIKeyJKGQVILYAVYPHO-UHFFFAOYSA-N
XLogP3.34
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.30
LogP ≤ 53.34
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-ylpropanamide?
The IUPAC name of N-(2-benzoyl-4-bromophenyl)-2-morpholin-4-ylpropanamide (CID 2927331) is N-(2-benzoyl-4-bromophenyl)-2-morpholin-4-ylpropanamide.
What is the SMILES notation for N-(2-benzoyl-4-bromophenyl)-2-morpholin-4-ylpropanamide?
The canonical SMILES for N-(2-benzoyl-4-bromophenyl)-2-morpholin-4-ylpropanamide is CC(C(=O)Nc1ccc(Br)cc1C(=O)c1ccccc1)N1CCOCC1.
What is the InChIKey of N-(2-benzoyl-4-bromophenyl)-2-morpholin-4-ylpropanamide?
The InChIKey is JKGQVILYAVYPHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21BrN2O3/c1-14(23-9-11-26-12-10-23)20(25)22-18-8-7-16(21)13-17(18)19(24)15-5-3-2-4-6-15/h2-8,13-14H,9-12H2,1H3,(H,22,25).
What are the key properties of N-(2-benzoyl-4-bromophenyl)-2-morpholin-4-ylpropanamide?
N-(2-benzoyl-4-bromophenyl)-2-morpholin-4-ylpropanamide has a molecular weight of 417.30 g/mol, XLogP of 3.34, 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-ylpropanamide is sourced from PubChem (CID 2927331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).