2-[(4-chlorophenoxy)methyl]-N'-hydroxybenzenecarboximidamide

C14H13ClN2O2 — CID 43185374

IUPAC2-[(4-chlorophenoxy)methyl]-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N\O)c1ccccc1COc1ccc(Cl)cc1
InChIInChI=1S/C14H13ClN2O2/c15-11-5-7-12(8-6-11)19-9-10-3-1-2-4-13(10)14(16)17-18/h1-8,18H,9H2,(H2,16,17)
InChIKeyCLQUJHYTSNTEGH-UHFFFAOYSA-N
MW276.72 g/mol
LogP3.01
Rot. Bonds4

About 2-[(4-chlorophenoxy)methyl]-N'-hydroxybenzenecarboximidamide

2-[(4-chlorophenoxy)methyl]-N'-hydroxybenzenecarboximidamide (PubChem CID 43185374) has the molecular formula C14H13ClN2O2 and a molecular weight of 276.72 g/mol. Its IUPAC name is 2-[(4-chlorophenoxy)methyl]-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name2-[(4-chlorophenoxy)methyl]-N'-hydroxybenzenecarboximidamide
PubChem CID43185374
Molecular FormulaC14H13ClN2O2
Molecular Weight276.72 g/mol
Exact Mass276.07
IUPAC Name2-[(4-chlorophenoxy)methyl]-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N\O)c1ccccc1COc1ccc(Cl)cc1
InChIInChI=1S/C14H13ClN2O2/c15-11-5-7-12(8-6-11)19-9-10-3-1-2-4-13(10)14(16)17-18/h1-8,18H,9H2,(H2,16,17)
InChIKeyCLQUJHYTSNTEGH-UHFFFAOYSA-N
XLogP3.01
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.72
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

2-chloro-4-[(2-fluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 77013685
2-[(3-bromo-5-fluorophenoxy)methyl]-N'-hydroxybenzenecarboximidamide
CID 81332303
2-(4-chlorophenoxy)-N'-hydroxybenzenecarboximidamide
CID 43199980
2-[(4-chloroanilino)methyl]-N'-hydroxybenzenecarboximidamide
CID 77026609
4-[(4-chlorophenoxy)methyl]-N'-hydroxy-3-methylbenzenecarboximidamide
CID 114483201
N'-hydroxy-2-[(2-methylpropan-2-yl)oxymethyl]benzenecarboximidamide
CID 43128379
5-fluoro-N'-hydroxy-2-(phenoxymethyl)benzenecarboximidamide
CID 76994491
2-[(4-chloro-2-fluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 114849596
2-[(2-fluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 24706233
2-[(2-bromophenyl)methoxy]-5-chloro-N'-hydroxybenzenecarboximidamide
CID 82824507
2-(aminomethyl)-N'-hydroxybenzenecarboximidamide
CID 22358532
2-[(4-chloro-3-fluorophenoxy)methyl]-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 82718062

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenoxy)methyl]-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 2-[(4-chlorophenoxy)methyl]-N'-hydroxybenzenecarboximidamide (CID 43185374) is 2-[(4-chlorophenoxy)methyl]-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 2-[(4-chlorophenoxy)methyl]-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 2-[(4-chlorophenoxy)methyl]-N'-hydroxybenzenecarboximidamide is N/C(=N\O)c1ccccc1COc1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorophenoxy)methyl]-N'-hydroxybenzenecarboximidamide?
The InChIKey is CLQUJHYTSNTEGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O2/c15-11-5-7-12(8-6-11)19-9-10-3-1-2-4-13(10)14(16)17-18/h1-8,18H,9H2,(H2,16,17).
What are the key properties of 2-[(4-chlorophenoxy)methyl]-N'-hydroxybenzenecarboximidamide?
2-[(4-chlorophenoxy)methyl]-N'-hydroxybenzenecarboximidamide has a molecular weight of 276.72 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenoxy)methyl]-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 43185374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).