2-chloro-N'-hydroxy-4-[3-(hydroxymethyl)phenoxy]benzenecarboximidamide

C14H13ClN2O3 — CID 76981418

IUPAC2-chloro-N'-hydroxy-4-[3-(hydroxymethyl)phenoxy]benzenecarboximidamide
SMILESNC(=NO)c1ccc(Oc2cccc(CO)c2)cc1Cl
InChIInChI=1S/C14H13ClN2O3/c15-13-7-11(4-5-12(13)14(16)17-19)20-10-3-1-2-9(6-10)8-18/h1-7,18-19H,8H2,(H2,16,17)
InChIKeyHUGKIRZVYSKLOF-UHFFFAOYSA-N
MW292.72 g/mol
LogP2.72
Rot. Bonds4

About 2-chloro-N'-hydroxy-4-[3-(hydroxymethyl)phenoxy]benzenecarboximidamide

2-chloro-N'-hydroxy-4-[3-(hydroxymethyl)phenoxy]benzenecarboximidamide (PubChem CID 76981418) has the molecular formula C14H13ClN2O3 and a molecular weight of 292.72 g/mol. Its IUPAC name is 2-chloro-N'-hydroxy-4-[3-(hydroxymethyl)phenoxy]benzenecarboximidamide.

Molecular Properties

Compound Name2-chloro-N'-hydroxy-4-[3-(hydroxymethyl)phenoxy]benzenecarboximidamide
PubChem CID76981418
Molecular FormulaC14H13ClN2O3
Molecular Weight292.72 g/mol
Exact Mass292.06
IUPAC Name2-chloro-N'-hydroxy-4-[3-(hydroxymethyl)phenoxy]benzenecarboximidamide
SMILESNC(=NO)c1ccc(Oc2cccc(CO)c2)cc1Cl
InChIInChI=1S/C14H13ClN2O3/c15-13-7-11(4-5-12(13)14(16)17-19)20-10-3-1-2-9(6-10)8-18/h1-7,18-19H,8H2,(H2,16,17)
InChIKeyHUGKIRZVYSKLOF-UHFFFAOYSA-N
XLogP2.72
TPSA88.07 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.72
LogP ≤ 52.72
H-Bond Donors ≤ 53
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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Related Compounds

4-bromo-N'-hydroxy-2-[3-(hydroxymethyl)phenoxy]benzenecarboximidamide
CID 114904303
2-chloro-4-(4-chloro-3-fluorophenoxy)-N'-hydroxybenzenecarboximidamide
CID 82717050
2-chloro-N'-hydroxy-4-(2,4,5-trichlorophenoxy)benzenecarboximidamide
CID 76997706
2-chloro-N'-hydroxy-4-(2-methoxyphenoxy)benzenecarboximidamide
CID 76981571
2-chloro-4-(2,3-dihydro-1H-inden-5-yloxy)-N'-hydroxybenzenecarboximidamide
CID 76981546
2-chloro-4-[3-(methoxymethyl)phenoxy]benzenecarbothioamide
CID 63986771
4-(2-bromo-4-methoxyphenoxy)-2-chloro-N'-hydroxybenzenecarboximidamide
CID 104707751
2-chloro-4-(difluoromethoxy)-N'-hydroxybenzenecarboximidamide
CID 102724409
2-chloro-N'-hydroxy-4-pentan-3-yloxybenzenecarboximidamide
CID 102724420
2-chloro-N'-hydroxy-4-[(4-methoxyphenyl)methoxy]benzenecarboximidamide
CID 76981512
[3-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]methanol
CID 79869651
2-chloro-N'-hydroxy-4-(thiophen-3-ylmethoxy)benzenecarboximidamide
CID 102724484

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N'-hydroxy-4-[3-(hydroxymethyl)phenoxy]benzenecarboximidamide?
The IUPAC name of 2-chloro-N'-hydroxy-4-[3-(hydroxymethyl)phenoxy]benzenecarboximidamide (CID 76981418) is 2-chloro-N'-hydroxy-4-[3-(hydroxymethyl)phenoxy]benzenecarboximidamide.
What is the SMILES notation for 2-chloro-N'-hydroxy-4-[3-(hydroxymethyl)phenoxy]benzenecarboximidamide?
The canonical SMILES for 2-chloro-N'-hydroxy-4-[3-(hydroxymethyl)phenoxy]benzenecarboximidamide is NC(=NO)c1ccc(Oc2cccc(CO)c2)cc1Cl.
What is the InChIKey of 2-chloro-N'-hydroxy-4-[3-(hydroxymethyl)phenoxy]benzenecarboximidamide?
The InChIKey is HUGKIRZVYSKLOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O3/c15-13-7-11(4-5-12(13)14(16)17-19)20-10-3-1-2-9(6-10)8-18/h1-7,18-19H,8H2,(H2,16,17).
What are the key properties of 2-chloro-N'-hydroxy-4-[3-(hydroxymethyl)phenoxy]benzenecarboximidamide?
2-chloro-N'-hydroxy-4-[3-(hydroxymethyl)phenoxy]benzenecarboximidamide has a molecular weight of 292.72 g/mol, XLogP of 2.72, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N'-hydroxy-4-[3-(hydroxymethyl)phenoxy]benzenecarboximidamide is sourced from PubChem (CID 76981418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).