2-[(chloroamino)methoxy]isoindole-1,3-dione

C9H7ClN2O3 — CID 89136693

IUPAC2-[(chloroamino)methoxy]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1OCNCl
InChIInChI=1S/C9H7ClN2O3/c10-11-5-15-12-8(13)6-3-1-2-4-7(6)9(12)14/h1-4,11H,5H2
InChIKeyMETNHQAVXQPWOX-UHFFFAOYSA-N
MW226.62 g/mol
LogP0.92
Rot. Bonds3

About 2-[(chloroamino)methoxy]isoindole-1,3-dione

2-[(chloroamino)methoxy]isoindole-1,3-dione (PubChem CID 89136693) has the molecular formula C9H7ClN2O3 and a molecular weight of 226.62 g/mol. Its IUPAC name is 2-[(chloroamino)methoxy]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[(chloroamino)methoxy]isoindole-1,3-dione
PubChem CID89136693
Molecular FormulaC9H7ClN2O3
Molecular Weight226.62 g/mol
Exact Mass226.01
IUPAC Name2-[(chloroamino)methoxy]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1OCNCl
InChIInChI=1S/C9H7ClN2O3/c10-11-5-15-12-8(13)6-3-1-2-4-7(6)9(12)14/h1-4,11H,5H2
InChIKeyMETNHQAVXQPWOX-UHFFFAOYSA-N
XLogP0.92
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.62
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-[2-(chloromethoxy)ethoxy]isoindole-1,3-dione
CID 86101763
2-aminooxyisoindole-1,3-dione
CID 89054763
2-[1-(chloroamino)ethoxy]isoindole-1,3-dione
CID 88887184
2-[[4-(chloromethyl)phenyl]methoxy]isoindole-1,3-dione
CID 23315738
bis(1,3-dioxoisoindol-2-yl) oxalate
CID 13423760
2-[2-(4-chlorophenyl)-2-(1,3-dioxoisoindol-2-yl)oxyethoxy]isoindole-1,3-dione
CID 132568120
2-[(5-chlorothiophen-2-yl)methoxy]isoindole-1,3-dione
CID 67270650
2-pent-2-enoxyisoindole-1,3-dione
CID 59905208
3-(1,3-dioxoisoindol-2-yl)oxy-2-hydroxypropanoic acid
CID 131031670
2-[2-(2-bromoethoxy)ethoxy]isoindole-1,3-dione
CID 67469414
N-[2-(1,3-dioxoisoindol-2-yl)oxyethyl]ethanesulfonamide
CID 67455194
2-[2-[tert-butyl(dimethyl)-λ4-sulfanyl]oxyethoxy]isoindole-1,3-dione
CID 168975357

Frequently Asked Questions

What is the IUPAC name of 2-[(chloroamino)methoxy]isoindole-1,3-dione?
The IUPAC name of 2-[(chloroamino)methoxy]isoindole-1,3-dione (CID 89136693) is 2-[(chloroamino)methoxy]isoindole-1,3-dione.
What is the SMILES notation for 2-[(chloroamino)methoxy]isoindole-1,3-dione?
The canonical SMILES for 2-[(chloroamino)methoxy]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1OCNCl.
What is the InChIKey of 2-[(chloroamino)methoxy]isoindole-1,3-dione?
The InChIKey is METNHQAVXQPWOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2O3/c10-11-5-15-12-8(13)6-3-1-2-4-7(6)9(12)14/h1-4,11H,5H2.
What are the key properties of 2-[(chloroamino)methoxy]isoindole-1,3-dione?
2-[(chloroamino)methoxy]isoindole-1,3-dione has a molecular weight of 226.62 g/mol, XLogP of 0.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(chloroamino)methoxy]isoindole-1,3-dione is sourced from PubChem (CID 89136693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).