[(dichloroamino)oxy-phenylmethyl]benzene

C13H11Cl2NO — CID 22288731

IUPAC[(dichloroamino)oxy-phenylmethyl]benzene
SMILESClN(Cl)OC(c1ccccc1)c1ccccc1
InChIInChI=1S/C13H11Cl2NO/c14-16(15)17-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13H
InChIKeyOIQPRCILVODACV-UHFFFAOYSA-N
MW268.14 g/mol
LogP4.32
Rot. Bonds4

About [(dichloroamino)oxy-phenylmethyl]benzene

[(dichloroamino)oxy-phenylmethyl]benzene (PubChem CID 22288731) has the molecular formula C13H11Cl2NO and a molecular weight of 268.14 g/mol. Its IUPAC name is [(dichloroamino)oxy-phenylmethyl]benzene.

Molecular Properties

Compound Name[(dichloroamino)oxy-phenylmethyl]benzene
PubChem CID22288731
Molecular FormulaC13H11Cl2NO
Molecular Weight268.14 g/mol
Exact Mass267.02
IUPAC Name[(dichloroamino)oxy-phenylmethyl]benzene
SMILESClN(Cl)OC(c1ccccc1)c1ccccc1
InChIInChI=1S/C13H11Cl2NO/c14-16(15)17-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13H
InChIKeyOIQPRCILVODACV-UHFFFAOYSA-N
XLogP4.32
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.14
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 173161446
CID 173161446
[phenyl(sulfanyloxy)methyl]benzene
CID 87556595
[phenyl(selanyloxy)methyl]benzene
CID 173319425
benzhydryloxyphosphane
CID 22639277
N'-benzhydryloxy-N'-ethylethane-1,2-diamine
CID 21187776
[ethenoxy(phenyl)methyl]benzene
CID 11401563
dibenzhydryloxy(oxo)phosphanium
CID 57050024
dichloromethylbenzene
CID 7411
4-[[[4-(dimethylamino)phenyl]-phenylmethoxy]-phenylmethyl]-N,N-dimethylaniline
CID 102127317
benzhydryl 2,2-dichloroacetate
CID 102144827
CID 45050176
CID 45050176
benzhydryloxymethylbenzene
CID 11437288

Frequently Asked Questions

What is the IUPAC name of [(dichloroamino)oxy-phenylmethyl]benzene?
The IUPAC name of [(dichloroamino)oxy-phenylmethyl]benzene (CID 22288731) is [(dichloroamino)oxy-phenylmethyl]benzene.
What is the SMILES notation for [(dichloroamino)oxy-phenylmethyl]benzene?
The canonical SMILES for [(dichloroamino)oxy-phenylmethyl]benzene is ClN(Cl)OC(c1ccccc1)c1ccccc1.
What is the InChIKey of [(dichloroamino)oxy-phenylmethyl]benzene?
The InChIKey is OIQPRCILVODACV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2NO/c14-16(15)17-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13H.
What are the key properties of [(dichloroamino)oxy-phenylmethyl]benzene?
[(dichloroamino)oxy-phenylmethyl]benzene has a molecular weight of 268.14 g/mol, XLogP of 4.32, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(dichloroamino)oxy-phenylmethyl]benzene is sourced from PubChem (CID 22288731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).