2-(chloroamino)oxy-N-[2-(2,5-dioxopyrrol-1-yl)ethyl]acetamide

C8H10ClN3O4 — CID 88941444

IUPAC2-(chloroamino)oxy-N-[2-(2,5-dioxopyrrol-1-yl)ethyl]acetamide
SMILESO=C(CONCl)NCCN1C(=O)C=CC1=O
InChIInChI=1S/C8H10ClN3O4/c9-11-16-5-6(13)10-3-4-12-7(14)1-2-8(12)15/h1-2,11H,3-5H2,(H,10,13)
InChIKeySKWITTKEUHIQGB-UHFFFAOYSA-N
MW247.64 g/mol
LogP-1.30
Rot. Bonds6

About 2-(chloroamino)oxy-N-[2-(2,5-dioxopyrrol-1-yl)ethyl]acetamide

2-(chloroamino)oxy-N-[2-(2,5-dioxopyrrol-1-yl)ethyl]acetamide (PubChem CID 88941444) has the molecular formula C8H10ClN3O4 and a molecular weight of 247.64 g/mol. Its IUPAC name is 2-(chloroamino)oxy-N-[2-(2,5-dioxopyrrol-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(chloroamino)oxy-N-[2-(2,5-dioxopyrrol-1-yl)ethyl]acetamide
PubChem CID88941444
Molecular FormulaC8H10ClN3O4
Molecular Weight247.64 g/mol
Exact Mass247.04
IUPAC Name2-(chloroamino)oxy-N-[2-(2,5-dioxopyrrol-1-yl)ethyl]acetamide
SMILESO=C(CONCl)NCCN1C(=O)C=CC1=O
InChIInChI=1S/C8H10ClN3O4/c9-11-16-5-6(13)10-3-4-12-7(14)1-2-8(12)15/h1-2,11H,3-5H2,(H,10,13)
InChIKeySKWITTKEUHIQGB-UHFFFAOYSA-N
XLogP-1.30
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.64
LogP ≤ 5-1.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-aminooxy-N-[2-(2,5-dioxopyrrol-1-yl)ethyl]acetamide
CID 53250845
2-ethoxy-N-[2-(2-methylidene-5-oxopyrrol-1-yl)ethyl]acetamide
CID 166990918
CID 123560915
CID 123560915
N-[2-(2,5-dioxopyrrol-1-yl)ethyl]-2-methylpropanamide
CID 118088116
N-[2-(2,5-dioxopyrrol-1-yl)ethyl]-3-selenophen-2-ylpropanamide
CID 166156326
tert-butyl N-[4-[2-(2,5-dioxopyrrol-1-yl)ethylamino]-4-oxobutyl]carbamate
CID 154932340
2-[[2-[2-[2-[4-(2,5-dioxopyrrol-1-yl)butylamino]-2-oxoethoxy]ethoxy]acetyl]amino]acetic acid
CID 59709152
N-(2-aminoethyl)-3-(2,5-dioxopyrrol-1-yl)propanamide
CID 51341002
1-[2-(2,5-dioxopyrrol-1-yl)ethyl]-3-[2-(methylamino)ethyl]urea
CID 142400579
N-[2-(2,5-dioxopyrrol-1-yl)ethyl]-3-(2-prop-2-ynoxyethoxy)propanamide
CID 172937368
N-[2-(2,5-dioxopyrrol-1-yl)ethyl]-4-[5-[2-(2,5-dioxopyrrol-1-yl)ethylamino]-2-methyl-5-oxopentan-2-yl]sulfinyl-4-methylpentanamide
CID 159317108
N-[2-(2,5-dioxopyrrol-1-yl)ethyl]-3-phenylpropanamide;2,2,2-trifluoroacetic acid
CID 175739456

Frequently Asked Questions

What is the IUPAC name of 2-(chloroamino)oxy-N-[2-(2,5-dioxopyrrol-1-yl)ethyl]acetamide?
The IUPAC name of 2-(chloroamino)oxy-N-[2-(2,5-dioxopyrrol-1-yl)ethyl]acetamide (CID 88941444) is 2-(chloroamino)oxy-N-[2-(2,5-dioxopyrrol-1-yl)ethyl]acetamide.
What is the SMILES notation for 2-(chloroamino)oxy-N-[2-(2,5-dioxopyrrol-1-yl)ethyl]acetamide?
The canonical SMILES for 2-(chloroamino)oxy-N-[2-(2,5-dioxopyrrol-1-yl)ethyl]acetamide is O=C(CONCl)NCCN1C(=O)C=CC1=O.
What is the InChIKey of 2-(chloroamino)oxy-N-[2-(2,5-dioxopyrrol-1-yl)ethyl]acetamide?
The InChIKey is SKWITTKEUHIQGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN3O4/c9-11-16-5-6(13)10-3-4-12-7(14)1-2-8(12)15/h1-2,11H,3-5H2,(H,10,13).
What are the key properties of 2-(chloroamino)oxy-N-[2-(2,5-dioxopyrrol-1-yl)ethyl]acetamide?
2-(chloroamino)oxy-N-[2-(2,5-dioxopyrrol-1-yl)ethyl]acetamide has a molecular weight of 247.64 g/mol, XLogP of -1.30, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloroamino)oxy-N-[2-(2,5-dioxopyrrol-1-yl)ethyl]acetamide is sourced from PubChem (CID 88941444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).