N-[(2-chlorophenyl)methyl]-N'-(1-methoxypropan-2-yl)oxamide

C13H17ClN2O3 — CID 45000626

IUPACN-[(2-chlorophenyl)methyl]-N'-(1-methoxypropan-2-yl)oxamide
SMILESCOCC(C)NC(=O)C(=O)NCc1ccccc1Cl
InChIInChI=1S/C13H17ClN2O3/c1-9(8-19-2)16-13(18)12(17)15-7-10-5-3-4-6-11(10)14/h3-6,9H,7-8H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyZJQBYNWPZLTKSR-UHFFFAOYSA-N
MW284.74 g/mol
LogP1.11
Rot. Bonds5

About N-[(2-chlorophenyl)methyl]-N'-(1-methoxypropan-2-yl)oxamide

N-[(2-chlorophenyl)methyl]-N'-(1-methoxypropan-2-yl)oxamide (PubChem CID 45000626) has the molecular formula C13H17ClN2O3 and a molecular weight of 284.74 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-N'-(1-methoxypropan-2-yl)oxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-N'-(1-methoxypropan-2-yl)oxamide
PubChem CID45000626
Molecular FormulaC13H17ClN2O3
Molecular Weight284.74 g/mol
Exact Mass284.09
IUPAC NameN-[(2-chlorophenyl)methyl]-N'-(1-methoxypropan-2-yl)oxamide
SMILESCOCC(C)NC(=O)C(=O)NCc1ccccc1Cl
InChIInChI=1S/C13H17ClN2O3/c1-9(8-19-2)16-13(18)12(17)15-7-10-5-3-4-6-11(10)14/h3-6,9H,7-8H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyZJQBYNWPZLTKSR-UHFFFAOYSA-N
XLogP1.11
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.74
LogP ≤ 51.11
H-Bond Donors ≤ 52
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-[(2-chlorophenyl)methyl]-N'-(1-methoxypropan-2-yl)oxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-N'-(1-methoxypropan-2-yl)oxamide (CID 45000626) is N-[(2-chlorophenyl)methyl]-N'-(1-methoxypropan-2-yl)oxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-N'-(1-methoxypropan-2-yl)oxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-N'-(1-methoxypropan-2-yl)oxamide is COCC(C)NC(=O)C(=O)NCc1ccccc1Cl.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-N'-(1-methoxypropan-2-yl)oxamide?
The InChIKey is ZJQBYNWPZLTKSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O3/c1-9(8-19-2)16-13(18)12(17)15-7-10-5-3-4-6-11(10)14/h3-6,9H,7-8H2,1-2H3,(H,15,17)(H,16,18).
What are the key properties of N-[(2-chlorophenyl)methyl]-N'-(1-methoxypropan-2-yl)oxamide?
N-[(2-chlorophenyl)methyl]-N'-(1-methoxypropan-2-yl)oxamide has a molecular weight of 284.74 g/mol, XLogP of 1.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-N'-(1-methoxypropan-2-yl)oxamide is sourced from PubChem (CID 45000626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).