4-chloro-N'-hydroxy-2-(3-methylbutoxy)benzenecarboximidamide

C12H17ClN2O2 — CID 76984720

IUPAC4-chloro-N'-hydroxy-2-(3-methylbutoxy)benzenecarboximidamide
SMILESCC(C)CCOc1cc(Cl)ccc1C(N)=NO
InChIInChI=1S/C12H17ClN2O2/c1-8(2)5-6-17-11-7-9(13)3-4-10(11)12(14)15-16/h3-4,7-8,16H,5-6H2,1-2H3,(H2,14,15)
InChIKeyBJIWQWWQTIXLHH-UHFFFAOYSA-N
MW256.73 g/mol
LogP2.86
Rot. Bonds5

About 4-chloro-N'-hydroxy-2-(3-methylbutoxy)benzenecarboximidamide

4-chloro-N'-hydroxy-2-(3-methylbutoxy)benzenecarboximidamide (PubChem CID 76984720) has the molecular formula C12H17ClN2O2 and a molecular weight of 256.73 g/mol. Its IUPAC name is 4-chloro-N'-hydroxy-2-(3-methylbutoxy)benzenecarboximidamide.

Molecular Properties

Compound Name4-chloro-N'-hydroxy-2-(3-methylbutoxy)benzenecarboximidamide
PubChem CID76984720
Molecular FormulaC12H17ClN2O2
Molecular Weight256.73 g/mol
Exact Mass256.10
IUPAC Name4-chloro-N'-hydroxy-2-(3-methylbutoxy)benzenecarboximidamide
SMILESCC(C)CCOc1cc(Cl)ccc1C(N)=NO
InChIInChI=1S/C12H17ClN2O2/c1-8(2)5-6-17-11-7-9(13)3-4-10(11)12(14)15-16/h3-4,7-8,16H,5-6H2,1-2H3,(H2,14,15)
InChIKeyBJIWQWWQTIXLHH-UHFFFAOYSA-N
XLogP2.86
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.73
LogP ≤ 52.86
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-(2-propoxyethoxy)benzenecarboximidamide
CID 55233057
4-chloro-N'-hydroxy-2-(methoxymethoxy)benzenecarboximidamide
CID 114323364
4-chloro-N'-hydroxy-2-[3-(2-methoxyethoxy)propoxy]benzenecarboximidamide
CID 103402738
4-chloro-N'-hydroxy-2-(4-propan-2-ylphenoxy)benzenecarboximidamide
CID 76999572
4-chloro-2-[(2,6-dichlorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 114323357
2-[(4-bromophenyl)methoxy]-4-chloro-N'-hydroxybenzenecarboximidamide
CID 114323375
4-chloro-2-[(2,6-difluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 114930346
4-chloro-N'-hydroxy-2-[(3-hydroxyphenyl)methoxy]benzenecarboximidamide
CID 114323334
4-chloro-N'-hydroxy-2-(2,2,2-trifluoroethoxymethoxy)benzenecarboximidamide
CID 106705042
5-chloro-2-heptoxy-N'-hydroxybenzenecarboximidamide
CID 76944556
4-chloro-N'-hydroxy-2-[(3-methoxyphenyl)methoxy]benzenecarboximidamide
CID 76984860
2-[[5-chloro-2-(3-methylbutoxy)phenyl]methylideneamino]guanidine
CID 168592723

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N'-hydroxy-2-(3-methylbutoxy)benzenecarboximidamide?
The IUPAC name of 4-chloro-N'-hydroxy-2-(3-methylbutoxy)benzenecarboximidamide (CID 76984720) is 4-chloro-N'-hydroxy-2-(3-methylbutoxy)benzenecarboximidamide.
What is the SMILES notation for 4-chloro-N'-hydroxy-2-(3-methylbutoxy)benzenecarboximidamide?
The canonical SMILES for 4-chloro-N'-hydroxy-2-(3-methylbutoxy)benzenecarboximidamide is CC(C)CCOc1cc(Cl)ccc1C(N)=NO.
What is the InChIKey of 4-chloro-N'-hydroxy-2-(3-methylbutoxy)benzenecarboximidamide?
The InChIKey is BJIWQWWQTIXLHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O2/c1-8(2)5-6-17-11-7-9(13)3-4-10(11)12(14)15-16/h3-4,7-8,16H,5-6H2,1-2H3,(H2,14,15).
What are the key properties of 4-chloro-N'-hydroxy-2-(3-methylbutoxy)benzenecarboximidamide?
4-chloro-N'-hydroxy-2-(3-methylbutoxy)benzenecarboximidamide has a molecular weight of 256.73 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N'-hydroxy-2-(3-methylbutoxy)benzenecarboximidamide is sourced from PubChem (CID 76984720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).