4-[bis(2-hydroxyethyl)amino]-2-chloro-N'-hydroxybenzenecarboximidamide

C11H16ClN3O3 — CID 76981473

IUPAC4-[bis(2-hydroxyethyl)amino]-2-chloro-N'-hydroxybenzenecarboximidamide
SMILESNC(=NO)c1ccc(N(CCO)CCO)cc1Cl
InChIInChI=1S/C11H16ClN3O3/c12-10-7-8(15(3-5-16)4-6-17)1-2-9(10)11(13)14-18/h1-2,7,16-18H,3-6H2,(H2,13,14)
InChIKeyYRAJHBCYKCZAPV-UHFFFAOYSA-N
MW273.72 g/mol
LogP0.23
Rot. Bonds6

About 4-[bis(2-hydroxyethyl)amino]-2-chloro-N'-hydroxybenzenecarboximidamide

4-[bis(2-hydroxyethyl)amino]-2-chloro-N'-hydroxybenzenecarboximidamide (PubChem CID 76981473) has the molecular formula C11H16ClN3O3 and a molecular weight of 273.72 g/mol. Its IUPAC name is 4-[bis(2-hydroxyethyl)amino]-2-chloro-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name4-[bis(2-hydroxyethyl)amino]-2-chloro-N'-hydroxybenzenecarboximidamide
PubChem CID76981473
Molecular FormulaC11H16ClN3O3
Molecular Weight273.72 g/mol
Exact Mass273.09
IUPAC Name4-[bis(2-hydroxyethyl)amino]-2-chloro-N'-hydroxybenzenecarboximidamide
SMILESNC(=NO)c1ccc(N(CCO)CCO)cc1Cl
InChIInChI=1S/C11H16ClN3O3/c12-10-7-8(15(3-5-16)4-6-17)1-2-9(10)11(13)14-18/h1-2,7,16-18H,3-6H2,(H2,13,14)
InChIKeyYRAJHBCYKCZAPV-UHFFFAOYSA-N
XLogP0.23
TPSA102.31 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.72
LogP ≤ 50.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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-N'-hydroxy-4-[2-hydroxyethyl(methyl)amino]benzenecarboximidamide
CID 76981406
2-chloro-4-(dibutylamino)-N'-hydroxybenzenecarboximidamide
CID 76997817
4-[bis(2-methoxyethyl)amino]-2-chloro-N'-hydroxybenzenecarboximidamide
CID 76981602
2-chloro-N'-hydroxy-4-[5-hydroxypentyl(methyl)amino]benzenecarboximidamide
CID 107200030
2-chloro-4-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N'-hydroxybenzenecarboximidamide
CID 79387458
2-chloro-N'-hydroxy-4-[1-hydroxypropan-2-yl(methyl)amino]benzenecarboximidamide
CID 104552150
2-chloro-4-[ethyl(2-methylbutyl)amino]-N'-hydroxybenzenecarboximidamide
CID 79477944
2-chloro-N'-hydroxy-4-[2-hydroxypropyl(methyl)amino]benzenecarboximidamide
CID 55152824
2-chloro-4-[2,2-difluoroethyl(2-hydroxyethyl)amino]benzenecarbothioamide
CID 107479829
2-[4-(aminomethyl)-3-chloro-N-(2-hydroxyethyl)anilino]ethanol
CID 62946184
2-chloro-4-[cyclopropylmethyl(methyl)amino]-N'-hydroxybenzenecarboximidamide
CID 55152255
4-amino-2-chloro-N'-hydroxybenzenecarboximidamide
CID 58182009

Frequently Asked Questions

What is the IUPAC name of 4-[bis(2-hydroxyethyl)amino]-2-chloro-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 4-[bis(2-hydroxyethyl)amino]-2-chloro-N'-hydroxybenzenecarboximidamide (CID 76981473) is 4-[bis(2-hydroxyethyl)amino]-2-chloro-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 4-[bis(2-hydroxyethyl)amino]-2-chloro-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 4-[bis(2-hydroxyethyl)amino]-2-chloro-N'-hydroxybenzenecarboximidamide is NC(=NO)c1ccc(N(CCO)CCO)cc1Cl.
What is the InChIKey of 4-[bis(2-hydroxyethyl)amino]-2-chloro-N'-hydroxybenzenecarboximidamide?
The InChIKey is YRAJHBCYKCZAPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O3/c12-10-7-8(15(3-5-16)4-6-17)1-2-9(10)11(13)14-18/h1-2,7,16-18H,3-6H2,(H2,13,14).
What are the key properties of 4-[bis(2-hydroxyethyl)amino]-2-chloro-N'-hydroxybenzenecarboximidamide?
4-[bis(2-hydroxyethyl)amino]-2-chloro-N'-hydroxybenzenecarboximidamide has a molecular weight of 273.72 g/mol, XLogP of 0.23, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[bis(2-hydroxyethyl)amino]-2-chloro-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 76981473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).