2-chloro-6-[3-(dimethylamino)phenoxy]-N'-hydroxybenzenecarboximidamide

C15H16ClN3O2 — CID 76945186

IUPAC2-chloro-6-[3-(dimethylamino)phenoxy]-N'-hydroxybenzenecarboximidamide
SMILESCN(C)c1cccc(Oc2cccc(Cl)c2C(N)=NO)c1
InChIInChI=1S/C15H16ClN3O2/c1-19(2)10-5-3-6-11(9-10)21-13-8-4-7-12(16)14(13)15(17)18-20/h3-9,20H,1-2H3,(H2,17,18)
InChIKeyDNFFGAXVJAWKMJ-UHFFFAOYSA-N
MW305.77 g/mol
LogP3.29
Rot. Bonds4

About 2-chloro-6-[3-(dimethylamino)phenoxy]-N'-hydroxybenzenecarboximidamide

2-chloro-6-[3-(dimethylamino)phenoxy]-N'-hydroxybenzenecarboximidamide (PubChem CID 76945186) has the molecular formula C15H16ClN3O2 and a molecular weight of 305.77 g/mol. Its IUPAC name is 2-chloro-6-[3-(dimethylamino)phenoxy]-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name2-chloro-6-[3-(dimethylamino)phenoxy]-N'-hydroxybenzenecarboximidamide
PubChem CID76945186
Molecular FormulaC15H16ClN3O2
Molecular Weight305.77 g/mol
Exact Mass305.09
IUPAC Name2-chloro-6-[3-(dimethylamino)phenoxy]-N'-hydroxybenzenecarboximidamide
SMILESCN(C)c1cccc(Oc2cccc(Cl)c2C(N)=NO)c1
InChIInChI=1S/C15H16ClN3O2/c1-19(2)10-5-3-6-11(9-10)21-13-8-4-7-12(16)14(13)15(17)18-20/h3-9,20H,1-2H3,(H2,17,18)
InChIKeyDNFFGAXVJAWKMJ-UHFFFAOYSA-N
XLogP3.29
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.77
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[3-(dimethylamino)phenoxy]-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 2-chloro-6-[3-(dimethylamino)phenoxy]-N'-hydroxybenzenecarboximidamide (CID 76945186) is 2-chloro-6-[3-(dimethylamino)phenoxy]-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 2-chloro-6-[3-(dimethylamino)phenoxy]-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 2-chloro-6-[3-(dimethylamino)phenoxy]-N'-hydroxybenzenecarboximidamide is CN(C)c1cccc(Oc2cccc(Cl)c2C(N)=NO)c1.
What is the InChIKey of 2-chloro-6-[3-(dimethylamino)phenoxy]-N'-hydroxybenzenecarboximidamide?
The InChIKey is DNFFGAXVJAWKMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O2/c1-19(2)10-5-3-6-11(9-10)21-13-8-4-7-12(16)14(13)15(17)18-20/h3-9,20H,1-2H3,(H2,17,18).
What are the key properties of 2-chloro-6-[3-(dimethylamino)phenoxy]-N'-hydroxybenzenecarboximidamide?
2-chloro-6-[3-(dimethylamino)phenoxy]-N'-hydroxybenzenecarboximidamide has a molecular weight of 305.77 g/mol, XLogP of 3.29, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[3-(dimethylamino)phenoxy]-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 76945186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).