5-chloro-N'-hydroxy-2-(4-propan-2-ylphenoxy)benzenecarboximidamide

C16H17ClN2O2 — CID 76997856

IUPAC5-chloro-N'-hydroxy-2-(4-propan-2-ylphenoxy)benzenecarboximidamide
SMILESCC(C)c1ccc(Oc2ccc(Cl)cc2C(N)=NO)cc1
InChIInChI=1S/C16H17ClN2O2/c1-10(2)11-3-6-13(7-4-11)21-15-8-5-12(17)9-14(15)16(18)19-20/h3-10,20H,1-2H3,(H2,18,19)
InChIKeyIZAWFJKXVNAGPC-UHFFFAOYSA-N
MW304.78 g/mol
LogP4.35
Rot. Bonds4

About 5-chloro-N'-hydroxy-2-(4-propan-2-ylphenoxy)benzenecarboximidamide

5-chloro-N'-hydroxy-2-(4-propan-2-ylphenoxy)benzenecarboximidamide (PubChem CID 76997856) has the molecular formula C16H17ClN2O2 and a molecular weight of 304.78 g/mol. Its IUPAC name is 5-chloro-N'-hydroxy-2-(4-propan-2-ylphenoxy)benzenecarboximidamide.

Molecular Properties

Compound Name5-chloro-N'-hydroxy-2-(4-propan-2-ylphenoxy)benzenecarboximidamide
PubChem CID76997856
Molecular FormulaC16H17ClN2O2
Molecular Weight304.78 g/mol
Exact Mass304.10
IUPAC Name5-chloro-N'-hydroxy-2-(4-propan-2-ylphenoxy)benzenecarboximidamide
SMILESCC(C)c1ccc(Oc2ccc(Cl)cc2C(N)=NO)cc1
InChIInChI=1S/C16H17ClN2O2/c1-10(2)11-3-6-13(7-4-11)21-15-8-5-12(17)9-14(15)16(18)19-20/h3-10,20H,1-2H3,(H2,18,19)
InChIKeyIZAWFJKXVNAGPC-UHFFFAOYSA-N
XLogP4.35
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 54.35
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

4-chloro-N'-hydroxy-2-(4-propan-2-ylphenoxy)benzenecarboximidamide
CID 76999572
5-chloro-N'-hydroxy-2-(1-propan-2-ylpyrazol-4-yl)oxybenzenecarboximidamide
CID 116801481
2-(4-bromo-3-fluorophenoxy)-5-chloro-N'-hydroxybenzenecarboximidamide
CID 77059489
3-bromo-N'-hydroxy-4-(4-propan-2-ylphenoxy)benzenecarboximidamide
CID 82786360
5-chloro-N'-hydroxy-2-pentan-2-yloxybenzenecarboximidamide
CID 102982026
5-chloro-2-(2-chloro-4-methylphenoxy)-N'-hydroxybenzenecarboximidamide
CID 76953392
2-(4-chlorophenoxy)-N'-hydroxybenzenecarboximidamide
CID 43199980
5-chloro-2-(2,5-difluorophenoxy)-N'-hydroxybenzenecarboximidamide
CID 76992475
2-(3-bromo-5-fluorophenoxy)-5-chloro-N'-hydroxybenzenecarboximidamide
CID 81331312
2-(3-chloro-4-fluorophenoxy)-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 77010316
2-(2-bromo-4-methylphenoxy)-5-chloro-N'-hydroxybenzenecarboximidamide
CID 76944539
5-chloro-2-heptoxy-N'-hydroxybenzenecarboximidamide
CID 76944556

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N'-hydroxy-2-(4-propan-2-ylphenoxy)benzenecarboximidamide?
The IUPAC name of 5-chloro-N'-hydroxy-2-(4-propan-2-ylphenoxy)benzenecarboximidamide (CID 76997856) is 5-chloro-N'-hydroxy-2-(4-propan-2-ylphenoxy)benzenecarboximidamide.
What is the SMILES notation for 5-chloro-N'-hydroxy-2-(4-propan-2-ylphenoxy)benzenecarboximidamide?
The canonical SMILES for 5-chloro-N'-hydroxy-2-(4-propan-2-ylphenoxy)benzenecarboximidamide is CC(C)c1ccc(Oc2ccc(Cl)cc2C(N)=NO)cc1.
What is the InChIKey of 5-chloro-N'-hydroxy-2-(4-propan-2-ylphenoxy)benzenecarboximidamide?
The InChIKey is IZAWFJKXVNAGPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O2/c1-10(2)11-3-6-13(7-4-11)21-15-8-5-12(17)9-14(15)16(18)19-20/h3-10,20H,1-2H3,(H2,18,19).
What are the key properties of 5-chloro-N'-hydroxy-2-(4-propan-2-ylphenoxy)benzenecarboximidamide?
5-chloro-N'-hydroxy-2-(4-propan-2-ylphenoxy)benzenecarboximidamide has a molecular weight of 304.78 g/mol, XLogP of 4.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N'-hydroxy-2-(4-propan-2-ylphenoxy)benzenecarboximidamide is sourced from PubChem (CID 76997856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).