N-(4-amino-3-chlorophenyl)-N'-(2-hydroxyethyl)-N'-methyloxamide

C11H14ClN3O3 — CID 108516095

IUPACN-(4-amino-3-chlorophenyl)-N'-(2-hydroxyethyl)-N'-methyloxamide
SMILESCN(CCO)C(=O)C(=O)Nc1ccc(N)c(Cl)c1
InChIInChI=1S/C11H14ClN3O3/c1-15(4-5-16)11(18)10(17)14-7-2-3-9(13)8(12)6-7/h2-3,6,16H,4-5,13H2,1H3,(H,14,17)
InChIKeyWGLCTOUAEBYSLQ-UHFFFAOYSA-N
MW271.70 g/mol
LogP0.31
Rot. Bonds3

About N-(4-amino-3-chlorophenyl)-N'-(2-hydroxyethyl)-N'-methyloxamide

N-(4-amino-3-chlorophenyl)-N'-(2-hydroxyethyl)-N'-methyloxamide (PubChem CID 108516095) has the molecular formula C11H14ClN3O3 and a molecular weight of 271.70 g/mol. Its IUPAC name is N-(4-amino-3-chlorophenyl)-N'-(2-hydroxyethyl)-N'-methyloxamide.

Molecular Properties

Compound NameN-(4-amino-3-chlorophenyl)-N'-(2-hydroxyethyl)-N'-methyloxamide
PubChem CID108516095
Molecular FormulaC11H14ClN3O3
Molecular Weight271.70 g/mol
Exact Mass271.07
IUPAC NameN-(4-amino-3-chlorophenyl)-N'-(2-hydroxyethyl)-N'-methyloxamide
SMILESCN(CCO)C(=O)C(=O)Nc1ccc(N)c(Cl)c1
InChIInChI=1S/C11H14ClN3O3/c1-15(4-5-16)11(18)10(17)14-7-2-3-9(13)8(12)6-7/h2-3,6,16H,4-5,13H2,1H3,(H,14,17)
InChIKeyWGLCTOUAEBYSLQ-UHFFFAOYSA-N
XLogP0.31
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.70
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(2-hydroxyethyl)-N-(4-hydroxyphenyl)-N'-methyloxamide
CID 108502057
N-(4-amino-3-chlorophenyl)-N'-(3,5-dimethylphenyl)oxamide
CID 108516205
N-(4-ethoxyphenyl)-N'-(2-hydroxyethyl)-N'-methyloxamide
CID 108514458
N-(4-amino-3-chlorophenyl)-N'-benzyl-N'-phenyloxamide
CID 108516125
N-(3H-benzimidazol-5-yl)-N'-(2-hydroxyethyl)-N'-methyloxamide
CID 108526708
N'-(2-hydroxyethyl)-N-(1H-indazol-6-yl)-N'-methyloxamide
CID 108526719
(4-amino-3-chlorophenyl)carbamic acid
CID 18543733
N'-(4-amino-3-chlorophenyl)-N-(3-fluorophenyl)oxamide
CID 108516241
2-chloro-4-N-[3-(dimethylamino)propyl]benzene-1,4-diamine
CID 126636290
2-(4-amino-3-chloroanilino)ethanol
CID 54315994
N-(4-amino-3-chlorophenyl)-N'-benzhydryloxamide
CID 108507997
N'-(3-acetylphenyl)-N-(4-amino-3-chlorophenyl)oxamide
CID 108514915

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-3-chlorophenyl)-N'-(2-hydroxyethyl)-N'-methyloxamide?
The IUPAC name of N-(4-amino-3-chlorophenyl)-N'-(2-hydroxyethyl)-N'-methyloxamide (CID 108516095) is N-(4-amino-3-chlorophenyl)-N'-(2-hydroxyethyl)-N'-methyloxamide.
What is the SMILES notation for N-(4-amino-3-chlorophenyl)-N'-(2-hydroxyethyl)-N'-methyloxamide?
The canonical SMILES for N-(4-amino-3-chlorophenyl)-N'-(2-hydroxyethyl)-N'-methyloxamide is CN(CCO)C(=O)C(=O)Nc1ccc(N)c(Cl)c1.
What is the InChIKey of N-(4-amino-3-chlorophenyl)-N'-(2-hydroxyethyl)-N'-methyloxamide?
The InChIKey is WGLCTOUAEBYSLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O3/c1-15(4-5-16)11(18)10(17)14-7-2-3-9(13)8(12)6-7/h2-3,6,16H,4-5,13H2,1H3,(H,14,17).
What are the key properties of N-(4-amino-3-chlorophenyl)-N'-(2-hydroxyethyl)-N'-methyloxamide?
N-(4-amino-3-chlorophenyl)-N'-(2-hydroxyethyl)-N'-methyloxamide has a molecular weight of 271.70 g/mol, XLogP of 0.31, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-3-chlorophenyl)-N'-(2-hydroxyethyl)-N'-methyloxamide is sourced from PubChem (CID 108516095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).