2-chloro-4-(dibutylamino)-N'-hydroxybenzenecarboximidamide

C15H24ClN3O — CID 76997817

IUPAC2-chloro-4-(dibutylamino)-N'-hydroxybenzenecarboximidamide
SMILESCCCCN(CCCC)c1ccc(C(N)=NO)c(Cl)c1
InChIInChI=1S/C15H24ClN3O/c1-3-5-9-19(10-6-4-2)12-7-8-13(14(16)11-12)15(17)18-20/h7-8,11,20H,3-6,9-10H2,1-2H3,(H2,17,18)
InChIKeyVSARHNLPJKIHRX-UHFFFAOYSA-N
MW297.83 g/mol
LogP3.84
Rot. Bonds8

About 2-chloro-4-(dibutylamino)-N'-hydroxybenzenecarboximidamide

2-chloro-4-(dibutylamino)-N'-hydroxybenzenecarboximidamide (PubChem CID 76997817) has the molecular formula C15H24ClN3O and a molecular weight of 297.83 g/mol. Its IUPAC name is 2-chloro-4-(dibutylamino)-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name2-chloro-4-(dibutylamino)-N'-hydroxybenzenecarboximidamide
PubChem CID76997817
Molecular FormulaC15H24ClN3O
Molecular Weight297.83 g/mol
Exact Mass297.16
IUPAC Name2-chloro-4-(dibutylamino)-N'-hydroxybenzenecarboximidamide
SMILESCCCCN(CCCC)c1ccc(C(N)=NO)c(Cl)c1
InChIInChI=1S/C15H24ClN3O/c1-3-5-9-19(10-6-4-2)12-7-8-13(14(16)11-12)15(17)18-20/h7-8,11,20H,3-6,9-10H2,1-2H3,(H2,17,18)
InChIKeyVSARHNLPJKIHRX-UHFFFAOYSA-N
XLogP3.84
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 53.84
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-[bis(2-hydroxyethyl)amino]-2-chloro-N'-hydroxybenzenecarboximidamide
CID 76981473
2-chloro-4-(dibutylamino)benzenecarbothioamide
CID 63518017
4-[bis(2-methoxyethyl)amino]-2-chloro-N'-hydroxybenzenecarboximidamide
CID 76981602
2-chloro-4-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N'-hydroxybenzenecarboximidamide
CID 79387458
2-chloro-4-[ethyl(2-methylbutyl)amino]-N'-hydroxybenzenecarboximidamide
CID 79477944
2-chloro-N'-hydroxy-4-[2-hydroxyethyl(methyl)amino]benzenecarboximidamide
CID 76981406
2-chloro-N'-hydroxy-4-[5-hydroxypentyl(methyl)amino]benzenecarboximidamide
CID 107200030
2-chloro-N'-hydroxy-4-[1-hydroxypropan-2-yl(methyl)amino]benzenecarboximidamide
CID 104552150
2-(N-butyl-4-carbamothioyl-3-chloroanilino)acetamide
CID 62947297
4-[butyl(ethyl)amino]-2-chlorobenzoic acid
CID 62945912
2-chloro-N'-hydroxy-4-[2-hydroxypropyl(methyl)amino]benzenecarboximidamide
CID 55152824
2-chloro-4-[cyclopropylmethyl(methyl)amino]-N'-hydroxybenzenecarboximidamide
CID 55152255

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(dibutylamino)-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 2-chloro-4-(dibutylamino)-N'-hydroxybenzenecarboximidamide (CID 76997817) is 2-chloro-4-(dibutylamino)-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 2-chloro-4-(dibutylamino)-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 2-chloro-4-(dibutylamino)-N'-hydroxybenzenecarboximidamide is CCCCN(CCCC)c1ccc(C(N)=NO)c(Cl)c1.
What is the InChIKey of 2-chloro-4-(dibutylamino)-N'-hydroxybenzenecarboximidamide?
The InChIKey is VSARHNLPJKIHRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN3O/c1-3-5-9-19(10-6-4-2)12-7-8-13(14(16)11-12)15(17)18-20/h7-8,11,20H,3-6,9-10H2,1-2H3,(H2,17,18).
What are the key properties of 2-chloro-4-(dibutylamino)-N'-hydroxybenzenecarboximidamide?
2-chloro-4-(dibutylamino)-N'-hydroxybenzenecarboximidamide has a molecular weight of 297.83 g/mol, XLogP of 3.84, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(dibutylamino)-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 76997817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).