N'-(3-chloro-2-methylphenyl)-N-(2-hydroxyethyl)oxamide

C11H13ClN2O3 — CID 2222940

IUPACN'-(3-chloro-2-methylphenyl)-N-(2-hydroxyethyl)oxamide
SMILESCc1c(Cl)cccc1NC(=O)C(=O)NCCO
InChIInChI=1S/C11H13ClN2O3/c1-7-8(12)3-2-4-9(7)14-11(17)10(16)13-5-6-15/h2-4,15H,5-6H2,1H3,(H,13,16)(H,14,17)
InChIKeyMRFUXICONQNWNS-UHFFFAOYSA-N
MW256.69 g/mol
LogP0.70
Rot. Bonds3

About N'-(3-chloro-2-methylphenyl)-N-(2-hydroxyethyl)oxamide

N'-(3-chloro-2-methylphenyl)-N-(2-hydroxyethyl)oxamide (PubChem CID 2222940) has the molecular formula C11H13ClN2O3 and a molecular weight of 256.69 g/mol. Its IUPAC name is N'-(3-chloro-2-methylphenyl)-N-(2-hydroxyethyl)oxamide.

Molecular Properties

Compound NameN'-(3-chloro-2-methylphenyl)-N-(2-hydroxyethyl)oxamide
PubChem CID2222940
Molecular FormulaC11H13ClN2O3
Molecular Weight256.69 g/mol
Exact Mass256.06
IUPAC NameN'-(3-chloro-2-methylphenyl)-N-(2-hydroxyethyl)oxamide
SMILESCc1c(Cl)cccc1NC(=O)C(=O)NCCO
InChIInChI=1S/C11H13ClN2O3/c1-7-8(12)3-2-4-9(7)14-11(17)10(16)13-5-6-15/h2-4,15H,5-6H2,1H3,(H,13,16)(H,14,17)
InChIKeyMRFUXICONQNWNS-UHFFFAOYSA-N
XLogP0.70
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.69
LogP ≤ 50.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(3-chloro-2-methylphenyl)-N-(2-hydroxyethyl)oxamide?
The IUPAC name of N'-(3-chloro-2-methylphenyl)-N-(2-hydroxyethyl)oxamide (CID 2222940) is N'-(3-chloro-2-methylphenyl)-N-(2-hydroxyethyl)oxamide.
What is the SMILES notation for N'-(3-chloro-2-methylphenyl)-N-(2-hydroxyethyl)oxamide?
The canonical SMILES for N'-(3-chloro-2-methylphenyl)-N-(2-hydroxyethyl)oxamide is Cc1c(Cl)cccc1NC(=O)C(=O)NCCO.
What is the InChIKey of N'-(3-chloro-2-methylphenyl)-N-(2-hydroxyethyl)oxamide?
The InChIKey is MRFUXICONQNWNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O3/c1-7-8(12)3-2-4-9(7)14-11(17)10(16)13-5-6-15/h2-4,15H,5-6H2,1H3,(H,13,16)(H,14,17).
What are the key properties of N'-(3-chloro-2-methylphenyl)-N-(2-hydroxyethyl)oxamide?
N'-(3-chloro-2-methylphenyl)-N-(2-hydroxyethyl)oxamide has a molecular weight of 256.69 g/mol, XLogP of 0.70, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-chloro-2-methylphenyl)-N-(2-hydroxyethyl)oxamide is sourced from PubChem (CID 2222940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).