N'-(5-chloro-2-methylphenyl)-N-(2-methylpropyl)oxamide

C13H17ClN2O2 — CID 2218014

IUPACN'-(5-chloro-2-methylphenyl)-N-(2-methylpropyl)oxamide
SMILESCc1ccc(Cl)cc1NC(=O)C(=O)NCC(C)C
InChIInChI=1S/C13H17ClN2O2/c1-8(2)7-15-12(17)13(18)16-11-6-10(14)5-4-9(11)3/h4-6,8H,7H2,1-3H3,(H,15,17)(H,16,18)
InChIKeyMMRQZLDBFXORQE-UHFFFAOYSA-N
MW268.74 g/mol
LogP2.36
Rot. Bonds3

About N'-(5-chloro-2-methylphenyl)-N-(2-methylpropyl)oxamide

N'-(5-chloro-2-methylphenyl)-N-(2-methylpropyl)oxamide (PubChem CID 2218014) has the molecular formula C13H17ClN2O2 and a molecular weight of 268.74 g/mol. Its IUPAC name is N'-(5-chloro-2-methylphenyl)-N-(2-methylpropyl)oxamide.

Molecular Properties

Compound NameN'-(5-chloro-2-methylphenyl)-N-(2-methylpropyl)oxamide
PubChem CID2218014
Molecular FormulaC13H17ClN2O2
Molecular Weight268.74 g/mol
Exact Mass268.10
IUPAC NameN'-(5-chloro-2-methylphenyl)-N-(2-methylpropyl)oxamide
SMILESCc1ccc(Cl)cc1NC(=O)C(=O)NCC(C)C
InChIInChI=1S/C13H17ClN2O2/c1-8(2)7-15-12(17)13(18)16-11-6-10(14)5-4-9(11)3/h4-6,8H,7H2,1-3H3,(H,15,17)(H,16,18)
InChIKeyMMRQZLDBFXORQE-UHFFFAOYSA-N
XLogP2.36
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-(5-chloro-2-methylphenyl)-N-(3-hydroxybutyl)oxamide
CID 111337573
N'-(5-chloro-2-methylphenyl)-N-(2-hydroxy-3-phenylpropyl)oxamide
CID 56765311
N'-(4-chloro-2-methylphenyl)-N-(3-methylbutyl)oxamide
CID 4066103
N'-(5-chloro-2-methylphenyl)-N-(2-ethyl-2-hydroxybutyl)oxamide
CID 48894697
N'-(5-chloro-2-methylphenyl)-N-(2-phenylethyl)oxamide
CID 2876297
N'-(5-chloro-2-methylphenyl)-N-[2-(4-hydroxyphenyl)ethyl]oxamide
CID 108503009
N-(5-chloro-2-methylphenyl)-N'-[1-(4-ethylphenyl)ethyl]oxamide
CID 108510908
N'-(5-chloro-2-methylphenyl)-N-[(2R)-2-(dimethylamino)-2-(1-methylpyrrol-2-yl)ethyl]oxamide
CID 42265452
N-(5-chloro-2-methylphenyl)-2-methyl-3-(methylamino)propanamide
CID 79195653
2-chloro-N-(5-chloro-2-methylphenyl)prop-2-enamide
CID 131001051
N-(5-chloro-2-methylphenyl)-N'-(1-hydroxybutan-2-yl)oxamide
CID 45000896
N-(2-butan-2-ylphenyl)-N'-(5-chloro-2-methylphenyl)oxamide
CID 108511864

Frequently Asked Questions

What is the IUPAC name of N'-(5-chloro-2-methylphenyl)-N-(2-methylpropyl)oxamide?
The IUPAC name of N'-(5-chloro-2-methylphenyl)-N-(2-methylpropyl)oxamide (CID 2218014) is N'-(5-chloro-2-methylphenyl)-N-(2-methylpropyl)oxamide.
What is the SMILES notation for N'-(5-chloro-2-methylphenyl)-N-(2-methylpropyl)oxamide?
The canonical SMILES for N'-(5-chloro-2-methylphenyl)-N-(2-methylpropyl)oxamide is Cc1ccc(Cl)cc1NC(=O)C(=O)NCC(C)C.
What is the InChIKey of N'-(5-chloro-2-methylphenyl)-N-(2-methylpropyl)oxamide?
The InChIKey is MMRQZLDBFXORQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O2/c1-8(2)7-15-12(17)13(18)16-11-6-10(14)5-4-9(11)3/h4-6,8H,7H2,1-3H3,(H,15,17)(H,16,18).
What are the key properties of N'-(5-chloro-2-methylphenyl)-N-(2-methylpropyl)oxamide?
N'-(5-chloro-2-methylphenyl)-N-(2-methylpropyl)oxamide has a molecular weight of 268.74 g/mol, XLogP of 2.36, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-chloro-2-methylphenyl)-N-(2-methylpropyl)oxamide is sourced from PubChem (CID 2218014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).