3-chloro-4-(N-ethylanilino)-N'-hydroxybenzenecarboximidamide

C15H16ClN3O — CID 76984250

IUPAC3-chloro-4-(N-ethylanilino)-N'-hydroxybenzenecarboximidamide
SMILESCCN(c1ccccc1)c1ccc(C(N)=NO)cc1Cl
InChIInChI=1S/C15H16ClN3O/c1-2-19(12-6-4-3-5-7-12)14-9-8-11(10-13(14)16)15(17)18-20/h3-10,20H,2H2,1H3,(H2,17,18)
InChIKeyIXJGLKUYRIHNRK-UHFFFAOYSA-N
MW289.77 g/mol
LogP3.59
Rot. Bonds4

About 3-chloro-4-(N-ethylanilino)-N'-hydroxybenzenecarboximidamide

3-chloro-4-(N-ethylanilino)-N'-hydroxybenzenecarboximidamide (PubChem CID 76984250) has the molecular formula C15H16ClN3O and a molecular weight of 289.77 g/mol. Its IUPAC name is 3-chloro-4-(N-ethylanilino)-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name3-chloro-4-(N-ethylanilino)-N'-hydroxybenzenecarboximidamide
PubChem CID76984250
Molecular FormulaC15H16ClN3O
Molecular Weight289.77 g/mol
Exact Mass289.10
IUPAC Name3-chloro-4-(N-ethylanilino)-N'-hydroxybenzenecarboximidamide
SMILESCCN(c1ccccc1)c1ccc(C(N)=NO)cc1Cl
InChIInChI=1S/C15H16ClN3O/c1-2-19(12-6-4-3-5-7-12)14-9-8-11(10-13(14)16)15(17)18-20/h3-10,20H,2H2,1H3,(H2,17,18)
InChIKeyIXJGLKUYRIHNRK-UHFFFAOYSA-N
XLogP3.59
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.77
LogP ≤ 53.59
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

3-bromo-4-(N-ethyl-3-fluoroanilino)-N'-hydroxybenzenecarboximidamide
CID 82787536
4-(aminomethyl)-2-chloro-N-ethyl-N-phenylaniline
CID 78924406
3-chloro-4-(N,3-dimethylanilino)-N'-hydroxybenzenecarboximidamide
CID 76984280
3-chloro-N'-hydroxy-4-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]benzenecarboximidamide
CID 113475743
3-chloro-4-[cyclopentyl(ethyl)amino]-N'-hydroxybenzenecarboximidamide
CID 76984358
4-(2-aminoethyl)-2-chloro-N-ethyl-N-phenylaniline
CID 81166285
3-chloro-4-[cyclobutylmethyl(ethyl)amino]-N'-hydroxybenzenecarboximidamide
CID 107398942
3-chloro-4-[(4-ethylcyclohexyl)-methylamino]-N'-hydroxybenzenecarboximidamide
CID 76997661
4-(N-butylanilino)-N'-hydroxybenzenecarboximidamide
CID 77047547
2-(N-ethyl-3-fluoroanilino)-N'-hydroxybenzenecarboximidamide
CID 76923932
3-chloro-N'-hydroxy-4-[3-hydroxypropyl(methyl)amino]benzenecarboximidamide
CID 114230237
3-chloro-N'-hydroxy-4-[methyl(pyridin-2-ylmethyl)amino]benzenecarboximidamide
CID 76984402

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(N-ethylanilino)-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 3-chloro-4-(N-ethylanilino)-N'-hydroxybenzenecarboximidamide (CID 76984250) is 3-chloro-4-(N-ethylanilino)-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 3-chloro-4-(N-ethylanilino)-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 3-chloro-4-(N-ethylanilino)-N'-hydroxybenzenecarboximidamide is CCN(c1ccccc1)c1ccc(C(N)=NO)cc1Cl.
What is the InChIKey of 3-chloro-4-(N-ethylanilino)-N'-hydroxybenzenecarboximidamide?
The InChIKey is IXJGLKUYRIHNRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O/c1-2-19(12-6-4-3-5-7-12)14-9-8-11(10-13(14)16)15(17)18-20/h3-10,20H,2H2,1H3,(H2,17,18).
What are the key properties of 3-chloro-4-(N-ethylanilino)-N'-hydroxybenzenecarboximidamide?
3-chloro-4-(N-ethylanilino)-N'-hydroxybenzenecarboximidamide has a molecular weight of 289.77 g/mol, XLogP of 3.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(N-ethylanilino)-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 76984250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).