2-chloro-N'-hydroxy-4-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]benzenecarboximidamide

C13H18ClN3O3 — CID 81203511

IUPAC2-chloro-N'-hydroxy-4-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]benzenecarboximidamide
SMILESCC1COC(CO)CN1c1ccc(/C(N)=N/O)c(Cl)c1
InChIInChI=1S/C13H18ClN3O3/c1-8-7-20-10(6-18)5-17(8)9-2-3-11(12(14)4-9)13(15)16-19/h2-4,8,10,18-19H,5-7H2,1H3,(H2,15,16)
InChIKeyLUMYTIDLHXVZJP-UHFFFAOYSA-N
MW299.76 g/mol
LogP1.02
Rot. Bonds3

About 2-chloro-N'-hydroxy-4-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]benzenecarboximidamide

2-chloro-N'-hydroxy-4-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]benzenecarboximidamide (PubChem CID 81203511) has the molecular formula C13H18ClN3O3 and a molecular weight of 299.76 g/mol. Its IUPAC name is 2-chloro-N'-hydroxy-4-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]benzenecarboximidamide.

Molecular Properties

Compound Name2-chloro-N'-hydroxy-4-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]benzenecarboximidamide
PubChem CID81203511
Molecular FormulaC13H18ClN3O3
Molecular Weight299.76 g/mol
Exact Mass299.10
IUPAC Name2-chloro-N'-hydroxy-4-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]benzenecarboximidamide
SMILESCC1COC(CO)CN1c1ccc(/C(N)=N/O)c(Cl)c1
InChIInChI=1S/C13H18ClN3O3/c1-8-7-20-10(6-18)5-17(8)9-2-3-11(12(14)4-9)13(15)16-19/h2-4,8,10,18-19H,5-7H2,1H3,(H2,15,16)
InChIKeyLUMYTIDLHXVZJP-UHFFFAOYSA-N
XLogP1.02
TPSA91.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.76
LogP ≤ 51.02
H-Bond Donors ≤ 53
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-4-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]benzenecarbothioamide
CID 81204035
2-chloro-4-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]benzonitrile
CID 81203842
2-amino-4-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]benzoic acid
CID 104500812
N'-hydroxy-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-3-methylbenzenecarboximidamide
CID 107109442
[4-(2-chloro-4-pyridinyl)-5-methylmorpholin-2-yl]methanol
CID 102824323
[4-(4-aminophenyl)-5-methylmorpholin-2-yl]methanol
CID 81206068
2-bromo-4-(2,5-dimethylmorpholin-4-yl)-N'-hydroxybenzenecarboximidamide
CID 107278566
4-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]benzenecarbothioamide
CID 81202788
N'-hydroxy-6-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]pyridine-3-carboximidamide
CID 81203418
2-amino-4-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]benzenesulfonamide
CID 81205568
2-chloro-4-(2,5-dimethylmorpholin-4-yl)benzenecarboximidamide
CID 62948700
[4-(2-amino-5-chlorophenyl)-5-methylmorpholin-2-yl]methanol
CID 113315842

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N'-hydroxy-4-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]benzenecarboximidamide?
The IUPAC name of 2-chloro-N'-hydroxy-4-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]benzenecarboximidamide (CID 81203511) is 2-chloro-N'-hydroxy-4-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]benzenecarboximidamide.
What is the SMILES notation for 2-chloro-N'-hydroxy-4-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]benzenecarboximidamide?
The canonical SMILES for 2-chloro-N'-hydroxy-4-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]benzenecarboximidamide is CC1COC(CO)CN1c1ccc(/C(N)=N/O)c(Cl)c1.
What is the InChIKey of 2-chloro-N'-hydroxy-4-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]benzenecarboximidamide?
The InChIKey is LUMYTIDLHXVZJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O3/c1-8-7-20-10(6-18)5-17(8)9-2-3-11(12(14)4-9)13(15)16-19/h2-4,8,10,18-19H,5-7H2,1H3,(H2,15,16).
What are the key properties of 2-chloro-N'-hydroxy-4-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]benzenecarboximidamide?
2-chloro-N'-hydroxy-4-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]benzenecarboximidamide has a molecular weight of 299.76 g/mol, XLogP of 1.02, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N'-hydroxy-4-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]benzenecarboximidamide is sourced from PubChem (CID 81203511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).