N-(5-bromo-2-morpholin-4-ylphenyl)-2-pyrrolidin-2-ylacetamide

C16H22BrN3O2 — CID 119833790

IUPACN-(5-bromo-2-morpholin-4-ylphenyl)-2-pyrrolidin-2-ylacetamide
SMILESO=C(CC1CCCN1)Nc1cc(Br)ccc1N1CCOCC1
InChIInChI=1S/C16H22BrN3O2/c17-12-3-4-15(20-6-8-22-9-7-20)14(10-12)19-16(21)11-13-2-1-5-18-13/h3-4,10,13,18H,1-2,5-9,11H2,(H,19,21)
InChIKeyVIOFHQWPRHCCGK-UHFFFAOYSA-N
MW368.28 g/mol
LogP2.37
Rot. Bonds4

About N-(5-bromo-2-morpholin-4-ylphenyl)-2-pyrrolidin-2-ylacetamide

N-(5-bromo-2-morpholin-4-ylphenyl)-2-pyrrolidin-2-ylacetamide (PubChem CID 119833790) has the molecular formula C16H22BrN3O2 and a molecular weight of 368.28 g/mol. Its IUPAC name is N-(5-bromo-2-morpholin-4-ylphenyl)-2-pyrrolidin-2-ylacetamide.

Molecular Properties

Compound NameN-(5-bromo-2-morpholin-4-ylphenyl)-2-pyrrolidin-2-ylacetamide
PubChem CID119833790
Molecular FormulaC16H22BrN3O2
Molecular Weight368.28 g/mol
Exact Mass367.09
IUPAC NameN-(5-bromo-2-morpholin-4-ylphenyl)-2-pyrrolidin-2-ylacetamide
SMILESO=C(CC1CCCN1)Nc1cc(Br)ccc1N1CCOCC1
InChIInChI=1S/C16H22BrN3O2/c17-12-3-4-15(20-6-8-22-9-7-20)14(10-12)19-16(21)11-13-2-1-5-18-13/h3-4,10,13,18H,1-2,5-9,11H2,(H,19,21)
InChIKeyVIOFHQWPRHCCGK-UHFFFAOYSA-N
XLogP2.37
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.28
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-morpholin-4-yl-3-pyridinyl)-2-pyrrolidin-2-ylacetamide
CID 119845865
N-(5-bromo-2-morpholin-4-ylphenyl)-2-cyanoacetamide
CID 86797592
N-(5-bromo-2-morpholin-4-ylphenyl)-2-(methylamino)acetamide
CID 119833776
N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]-2-pyrrolidin-2-ylacetamide
CID 119828255
N-(5-bromo-2-morpholin-4-ylphenyl)-2-(4-fluorophenyl)acetamide
CID 55363743
(2S,4S)-N-(5-bromo-2-morpholin-4-ylphenyl)-2-methylpiperidine-4-carboxamide;dihydrochloride
CID 120640206
N-(5-bromo-2,4-difluorophenyl)-2-pyrrolidin-2-ylacetamide
CID 102853687
N-[2-methyl-5-(morpholin-4-ylmethyl)phenyl]-2-pyrrolidin-2-ylacetamide
CID 119890419
N-[2-methyl-5-(morpholine-4-carbonyl)phenyl]-2-pyrrolidin-2-ylacetamide
CID 119795362
N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-2-pyrrolidin-2-ylacetamide
CID 119840808
N-(3-fluoro-5-morpholin-4-ylphenyl)-2-pyrrolidin-2-ylacetamide;dihydrochloride
CID 119871807
N-(5-bromo-2-morpholin-4-ylphenyl)morpholine-2-carboxamide
CID 119833788

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-morpholin-4-ylphenyl)-2-pyrrolidin-2-ylacetamide?
The IUPAC name of N-(5-bromo-2-morpholin-4-ylphenyl)-2-pyrrolidin-2-ylacetamide (CID 119833790) is N-(5-bromo-2-morpholin-4-ylphenyl)-2-pyrrolidin-2-ylacetamide.
What is the SMILES notation for N-(5-bromo-2-morpholin-4-ylphenyl)-2-pyrrolidin-2-ylacetamide?
The canonical SMILES for N-(5-bromo-2-morpholin-4-ylphenyl)-2-pyrrolidin-2-ylacetamide is O=C(CC1CCCN1)Nc1cc(Br)ccc1N1CCOCC1.
What is the InChIKey of N-(5-bromo-2-morpholin-4-ylphenyl)-2-pyrrolidin-2-ylacetamide?
The InChIKey is VIOFHQWPRHCCGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrN3O2/c17-12-3-4-15(20-6-8-22-9-7-20)14(10-12)19-16(21)11-13-2-1-5-18-13/h3-4,10,13,18H,1-2,5-9,11H2,(H,19,21).
What are the key properties of N-(5-bromo-2-morpholin-4-ylphenyl)-2-pyrrolidin-2-ylacetamide?
N-(5-bromo-2-morpholin-4-ylphenyl)-2-pyrrolidin-2-ylacetamide has a molecular weight of 368.28 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-morpholin-4-ylphenyl)-2-pyrrolidin-2-ylacetamide is sourced from PubChem (CID 119833790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).