5-amino-3-chloro-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]benzamide

C13H18ClN3O3 — CID 107196393

IUPAC5-amino-3-chloro-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]benzamide
SMILESCC1COC(CO)CN1c1c(Cl)cc(N)cc1C(N)=O
InChIInChI=1S/C13H18ClN3O3/c1-7-6-20-9(5-18)4-17(7)12-10(13(16)19)2-8(15)3-11(12)14/h2-3,7,9,18H,4-6,15H2,1H3,(H2,16,19)
InChIKeyYWKLTBMYPRWAIG-UHFFFAOYSA-N
MW299.76 g/mol
LogP0.61
Rot. Bonds3

About 5-amino-3-chloro-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]benzamide

5-amino-3-chloro-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]benzamide (PubChem CID 107196393) has the molecular formula C13H18ClN3O3 and a molecular weight of 299.76 g/mol. Its IUPAC name is 5-amino-3-chloro-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]benzamide.

Molecular Properties

Compound Name5-amino-3-chloro-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]benzamide
PubChem CID107196393
Molecular FormulaC13H18ClN3O3
Molecular Weight299.76 g/mol
Exact Mass299.10
IUPAC Name5-amino-3-chloro-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]benzamide
SMILESCC1COC(CO)CN1c1c(Cl)cc(N)cc1C(N)=O
InChIInChI=1S/C13H18ClN3O3/c1-7-6-20-9(5-18)4-17(7)12-10(13(16)19)2-8(15)3-11(12)14/h2-3,7,9,18H,4-6,15H2,1H3,(H2,16,19)
InChIKeyYWKLTBMYPRWAIG-UHFFFAOYSA-N
XLogP0.61
TPSA101.81 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 ≤ 50.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-chloro-4-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]benzenecarbothioamide
CID 81204035
[4-(4-aminophenyl)-5-methylmorpholin-2-yl]methanol
CID 81206068
2-amino-4-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]benzoic acid
CID 104500812
[4-(2-amino-5-chlorophenyl)-5-methylmorpholin-2-yl]methanol
CID 113315842
[4-(4-amino-2-methylphenyl)-5-methylmorpholin-2-yl]methanol
CID 81206220
2-chloro-N'-hydroxy-4-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]benzenecarboximidamide
CID 81203511
5-amino-3-chloro-2-(4-methylpiperidin-1-yl)benzamide
CID 107192335
[4-[4-(aminomethyl)-2,6-difluorophenyl]-5-methylmorpholin-2-yl]methanol
CID 81204114
3-chloro-4-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]benzaldehyde
CID 81205219
(2-chloro-4,5-dimethylphenyl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
CID 110027448
2-chloro-6-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]benzenecarbothioamide
CID 81202967
[4-(5-amino-2-pyridinyl)-5-methylmorpholin-2-yl]methanol
CID 81205999

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-chloro-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]benzamide?
The IUPAC name of 5-amino-3-chloro-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]benzamide (CID 107196393) is 5-amino-3-chloro-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]benzamide.
What is the SMILES notation for 5-amino-3-chloro-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]benzamide?
The canonical SMILES for 5-amino-3-chloro-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]benzamide is CC1COC(CO)CN1c1c(Cl)cc(N)cc1C(N)=O.
What is the InChIKey of 5-amino-3-chloro-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]benzamide?
The InChIKey is YWKLTBMYPRWAIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O3/c1-7-6-20-9(5-18)4-17(7)12-10(13(16)19)2-8(15)3-11(12)14/h2-3,7,9,18H,4-6,15H2,1H3,(H2,16,19).
What are the key properties of 5-amino-3-chloro-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]benzamide?
5-amino-3-chloro-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]benzamide has a molecular weight of 299.76 g/mol, XLogP of 0.61, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-chloro-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]benzamide is sourced from PubChem (CID 107196393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).