N-(5-bromo-2-morpholin-4-ylphenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide

C21H20BrN3O4 — CID 55363833

IUPACN-(5-bromo-2-morpholin-4-ylphenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide
SMILESCC(C(=O)Nc1cc(Br)ccc1N1CCOCC1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C21H20BrN3O4/c1-13(25-20(27)15-4-2-3-5-16(15)21(25)28)19(26)23-17-12-14(22)6-7-18(17)24-8-10-29-11-9-24/h2-7,12-13H,8-11H2,1H3,(H,23,26)
InChIKeyKYFNLMFPWCPITQ-UHFFFAOYSA-N
MW458.31 g/mol
LogP2.91
Rot. Bonds4

About N-(5-bromo-2-morpholin-4-ylphenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide

N-(5-bromo-2-morpholin-4-ylphenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide (PubChem CID 55363833) has the molecular formula C21H20BrN3O4 and a molecular weight of 458.31 g/mol. Its IUPAC name is N-(5-bromo-2-morpholin-4-ylphenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide.

Molecular Properties

Compound NameN-(5-bromo-2-morpholin-4-ylphenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide
PubChem CID55363833
Molecular FormulaC21H20BrN3O4
Molecular Weight458.31 g/mol
Exact Mass457.06
IUPAC NameN-(5-bromo-2-morpholin-4-ylphenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide
SMILESCC(C(=O)Nc1cc(Br)ccc1N1CCOCC1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C21H20BrN3O4/c1-13(25-20(27)15-4-2-3-5-16(15)21(25)28)19(26)23-17-12-14(22)6-7-18(17)24-8-10-29-11-9-24/h2-7,12-13H,8-11H2,1H3,(H,23,26)
InChIKeyKYFNLMFPWCPITQ-UHFFFAOYSA-N
XLogP2.91
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.31
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-(1,3-dioxoisoindol-2-yl)-N-(2-morpholin-4-ylphenyl)propanamide
CID 7940676
2-amino-N-(5-bromo-2-morpholin-4-ylphenyl)propanamide;dihydrochloride
CID 119833777
(2S)-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 41056650
(2S)-2-(1,3-dioxoisoindol-2-yl)-N-(2-pyrrolidin-1-ylphenyl)propanamide
CID 39911850
N-(5-bromo-2-morpholin-4-ylphenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 86885690
(2S)-N-(3-bromophenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 7104334
N-(5-bromo-2-morpholin-4-ylphenyl)-2-(methylamino)acetamide
CID 119833776
2-(1,3-dioxoisoindol-2-yl)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 3340504
N-(5-bromo-2-morpholin-4-ylphenyl)-2-methylcyclopropane-1-carboxamide
CID 47109483
2-bromo-N-(2-morpholin-4-ylphenyl)propanamide
CID 107903089
2-methyl-N-(2-morpholin-4-ylphenyl)propanamide
CID 2767049
N-(5-bromo-2-morpholin-4-ylphenyl)-2-cyanoacetamide
CID 86797592

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-morpholin-4-ylphenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide?
The IUPAC name of N-(5-bromo-2-morpholin-4-ylphenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide (CID 55363833) is N-(5-bromo-2-morpholin-4-ylphenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide.
What is the SMILES notation for N-(5-bromo-2-morpholin-4-ylphenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide?
The canonical SMILES for N-(5-bromo-2-morpholin-4-ylphenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide is CC(C(=O)Nc1cc(Br)ccc1N1CCOCC1)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of N-(5-bromo-2-morpholin-4-ylphenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide?
The InChIKey is KYFNLMFPWCPITQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20BrN3O4/c1-13(25-20(27)15-4-2-3-5-16(15)21(25)28)19(26)23-17-12-14(22)6-7-18(17)24-8-10-29-11-9-24/h2-7,12-13H,8-11H2,1H3,(H,23,26).
What are the key properties of N-(5-bromo-2-morpholin-4-ylphenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide?
N-(5-bromo-2-morpholin-4-ylphenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide has a molecular weight of 458.31 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-morpholin-4-ylphenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide is sourced from PubChem (CID 55363833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).