N-[3-(3-chloro-4-morpholin-4-yl-2,5-dioxopyrrol-1-yl)phenyl]acetamide

C16H16ClN3O4 — CID 123022695

IUPACN-[3-(3-chloro-4-morpholin-4-yl-2,5-dioxopyrrol-1-yl)phenyl]acetamide
SMILESCC(=O)Nc1cccc(N2C(=O)C(Cl)=C(N3CCOCC3)C2=O)c1
InChIInChI=1S/C16H16ClN3O4/c1-10(21)18-11-3-2-4-12(9-11)20-15(22)13(17)14(16(20)23)19-5-7-24-8-6-19/h2-4,9H,5-8H2,1H3,(H,18,21)
InChIKeyBGRYZCOKOZRPJT-UHFFFAOYSA-N
MW349.77 g/mol
LogP1.30
Rot. Bonds3

About N-[3-(3-chloro-4-morpholin-4-yl-2,5-dioxopyrrol-1-yl)phenyl]acetamide

N-[3-(3-chloro-4-morpholin-4-yl-2,5-dioxopyrrol-1-yl)phenyl]acetamide (PubChem CID 123022695) has the molecular formula C16H16ClN3O4 and a molecular weight of 349.77 g/mol. Its IUPAC name is N-[3-(3-chloro-4-morpholin-4-yl-2,5-dioxopyrrol-1-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[3-(3-chloro-4-morpholin-4-yl-2,5-dioxopyrrol-1-yl)phenyl]acetamide
PubChem CID123022695
Molecular FormulaC16H16ClN3O4
Molecular Weight349.77 g/mol
Exact Mass349.08
IUPAC NameN-[3-(3-chloro-4-morpholin-4-yl-2,5-dioxopyrrol-1-yl)phenyl]acetamide
SMILESCC(=O)Nc1cccc(N2C(=O)C(Cl)=C(N3CCOCC3)C2=O)c1
InChIInChI=1S/C16H16ClN3O4/c1-10(21)18-11-3-2-4-12(9-11)20-15(22)13(17)14(16(20)23)19-5-7-24-8-6-19/h2-4,9H,5-8H2,1H3,(H,18,21)
InChIKeyBGRYZCOKOZRPJT-UHFFFAOYSA-N
XLogP1.30
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.77
LogP ≤ 51.30
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

2,2-dimethyl-N-(3-morpholin-4-ylphenyl)propanamide
CID 47342308
N-(3-acetamidophenyl)morpholine-4-carboxamide
CID 3707113
N-[4-[3-(2-methoxyphenyl)-4-morpholin-4-yl-2,5-dioxopyrrol-1-yl]phenyl]acetamide
CID 110567287
N-(7-chloro-6-morpholin-4-yl-5,8-dioxonaphthalen-1-yl)acetamide
CID 5198828
2,5-dichloro-N-(3-morpholin-4-ylphenyl)benzamide
CID 55952430
N-[4-[1-(4-ethylphenyl)-4-morpholin-4-yl-2,5-dioxopyrrol-3-yl]phenyl]acetamide
CID 110563365
3-chloro-1-(3,4-dichlorophenyl)-4-[4-(3,4-dichlorophenyl)piperazin-1-yl]pyrrole-2,5-dione
CID 16654676
N-[4-[1-(2-methylphenyl)-4-morpholin-4-yl-2,5-dioxopyrrol-3-yl]phenyl]acetamide
CID 110563681
[(2S)-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl] 3-acetamidobenzoate
CID 7376547
4-N-(3-morpholin-4-ylphenyl)benzene-1,4-dicarboxamide
CID 86821841
4-(4-methylpiperazin-1-yl)-N-(3-morpholin-4-ylphenyl)benzamide
CID 142713208
3-chloro-1-phenyl-4-piperidin-1-ylpyrrole-2,5-dione
CID 779239

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-chloro-4-morpholin-4-yl-2,5-dioxopyrrol-1-yl)phenyl]acetamide?
The IUPAC name of N-[3-(3-chloro-4-morpholin-4-yl-2,5-dioxopyrrol-1-yl)phenyl]acetamide (CID 123022695) is N-[3-(3-chloro-4-morpholin-4-yl-2,5-dioxopyrrol-1-yl)phenyl]acetamide.
What is the SMILES notation for N-[3-(3-chloro-4-morpholin-4-yl-2,5-dioxopyrrol-1-yl)phenyl]acetamide?
The canonical SMILES for N-[3-(3-chloro-4-morpholin-4-yl-2,5-dioxopyrrol-1-yl)phenyl]acetamide is CC(=O)Nc1cccc(N2C(=O)C(Cl)=C(N3CCOCC3)C2=O)c1.
What is the InChIKey of N-[3-(3-chloro-4-morpholin-4-yl-2,5-dioxopyrrol-1-yl)phenyl]acetamide?
The InChIKey is BGRYZCOKOZRPJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O4/c1-10(21)18-11-3-2-4-12(9-11)20-15(22)13(17)14(16(20)23)19-5-7-24-8-6-19/h2-4,9H,5-8H2,1H3,(H,18,21).
What are the key properties of N-[3-(3-chloro-4-morpholin-4-yl-2,5-dioxopyrrol-1-yl)phenyl]acetamide?
N-[3-(3-chloro-4-morpholin-4-yl-2,5-dioxopyrrol-1-yl)phenyl]acetamide has a molecular weight of 349.77 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-chloro-4-morpholin-4-yl-2,5-dioxopyrrol-1-yl)phenyl]acetamide is sourced from PubChem (CID 123022695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).