N-(5-bromo-2-morpholin-4-ylphenyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide

C22H24BrN3O3 — CID 55407073

IUPACN-(5-bromo-2-morpholin-4-ylphenyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
SMILESO=C(Nc1cc(Br)ccc1N1CCOCC1)c1cccc(CN2CCCC2=O)c1
InChIInChI=1S/C22H24BrN3O3/c23-18-6-7-20(25-9-11-29-12-10-25)19(14-18)24-22(28)17-4-1-3-16(13-17)15-26-8-2-5-21(26)27/h1,3-4,6-7,13-14H,2,5,8-12,15H2,(H,24,28)
InChIKeySCEMXGQPCCIYEH-UHFFFAOYSA-N
MW458.36 g/mol
LogP3.66
Rot. Bonds5

About N-(5-bromo-2-morpholin-4-ylphenyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide

N-(5-bromo-2-morpholin-4-ylphenyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide (PubChem CID 55407073) has the molecular formula C22H24BrN3O3 and a molecular weight of 458.36 g/mol. Its IUPAC name is N-(5-bromo-2-morpholin-4-ylphenyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN-(5-bromo-2-morpholin-4-ylphenyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
PubChem CID55407073
Molecular FormulaC22H24BrN3O3
Molecular Weight458.36 g/mol
Exact Mass457.10
IUPAC NameN-(5-bromo-2-morpholin-4-ylphenyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
SMILESO=C(Nc1cc(Br)ccc1N1CCOCC1)c1cccc(CN2CCCC2=O)c1
InChIInChI=1S/C22H24BrN3O3/c23-18-6-7-20(25-9-11-29-12-10-25)19(14-18)24-22(28)17-4-1-3-16(13-17)15-26-8-2-5-21(26)27/h1,3-4,6-7,13-14H,2,5,8-12,15H2,(H,24,28)
InChIKeySCEMXGQPCCIYEH-UHFFFAOYSA-N
XLogP3.66
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.36
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-bromophenyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 36662906
N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 39996091
N-(5-bromo-2-morpholin-4-ylphenyl)-3-cyanobenzamide
CID 46813523
N-(2-chlorophenyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 9032159
1-N-(5-bromo-2-morpholin-4-ylphenyl)-3-N-ethyl-3-N-methylbenzene-1,3-dicarboxamide
CID 167967581
N-(2,3-dichlorophenyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 51219042
3-[(2-oxopyrrolidin-1-yl)methyl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide
CID 51229689
N-[2-[(4-tert-butylbenzoyl)amino]phenyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 55750325
N-(3-chloro-2-morpholin-4-ylphenyl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 24614256
N-(5-bromo-2-morpholin-4-ylphenyl)-4-chlorobenzamide
CID 55363665
N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 24501974
N-(5-bromo-2-morpholin-4-ylphenyl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 55582875

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-morpholin-4-ylphenyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
The IUPAC name of N-(5-bromo-2-morpholin-4-ylphenyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide (CID 55407073) is N-(5-bromo-2-morpholin-4-ylphenyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide.
What is the SMILES notation for N-(5-bromo-2-morpholin-4-ylphenyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
The canonical SMILES for N-(5-bromo-2-morpholin-4-ylphenyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide is O=C(Nc1cc(Br)ccc1N1CCOCC1)c1cccc(CN2CCCC2=O)c1.
What is the InChIKey of N-(5-bromo-2-morpholin-4-ylphenyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
The InChIKey is SCEMXGQPCCIYEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24BrN3O3/c23-18-6-7-20(25-9-11-29-12-10-25)19(14-18)24-22(28)17-4-1-3-16(13-17)15-26-8-2-5-21(26)27/h1,3-4,6-7,13-14H,2,5,8-12,15H2,(H,24,28).
What are the key properties of N-(5-bromo-2-morpholin-4-ylphenyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
N-(5-bromo-2-morpholin-4-ylphenyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide has a molecular weight of 458.36 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-morpholin-4-ylphenyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide is sourced from PubChem (CID 55407073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).