N'-butan-2-yl-N-(2,4-dichlorophenyl)oxamide

C12H14Cl2N2O2 — CID 108502714

IUPACN'-butan-2-yl-N-(2,4-dichlorophenyl)oxamide
SMILESCCC(C)NC(=O)C(=O)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C12H14Cl2N2O2/c1-3-7(2)15-11(17)12(18)16-10-5-4-8(13)6-9(10)14/h4-7H,3H2,1-2H3,(H,15,17)(H,16,18)
InChIKeySBMJJFYYZSMROT-UHFFFAOYSA-N
MW289.16 g/mol
LogP2.85
Rot. Bonds3

About N'-butan-2-yl-N-(2,4-dichlorophenyl)oxamide

N'-butan-2-yl-N-(2,4-dichlorophenyl)oxamide (PubChem CID 108502714) has the molecular formula C12H14Cl2N2O2 and a molecular weight of 289.16 g/mol. Its IUPAC name is N'-butan-2-yl-N-(2,4-dichlorophenyl)oxamide.

Molecular Properties

Compound NameN'-butan-2-yl-N-(2,4-dichlorophenyl)oxamide
PubChem CID108502714
Molecular FormulaC12H14Cl2N2O2
Molecular Weight289.16 g/mol
Exact Mass288.04
IUPAC NameN'-butan-2-yl-N-(2,4-dichlorophenyl)oxamide
SMILESCCC(C)NC(=O)C(=O)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C12H14Cl2N2O2/c1-3-7(2)15-11(17)12(18)16-10-5-4-8(13)6-9(10)14/h4-7H,3H2,1-2H3,(H,15,17)(H,16,18)
InChIKeySBMJJFYYZSMROT-UHFFFAOYSA-N
XLogP2.85
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.16
LogP ≤ 52.85
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'-butan-2-yl-N-(2,4-dichlorophenyl)propanediamide
CID 108941910
N-(2,4-dichlorophenyl)-N'-(1-hydroxybutan-2-yl)oxamide
CID 108502845
N-(2,4-dichlorophenyl)-N'-[1-(4-ethylphenyl)ethyl]oxamide
CID 108502742
1-N-butan-2-yl-2-N-(2,4-dichlorophenyl)cyclopropane-1,2-dicarboxamide
CID 109131774
N-(2,4-dichlorophenyl)-N'-(1-hydroxy-4-methylpentan-2-yl)oxamide
CID 111798057
N-(2,4-dichlorophenyl)propanamide
CID 923083
N'-butan-2-yl-N-(4-hydroxy-2-methylphenyl)oxamide
CID 108505393
N-(2,4-dichlorophenyl)-N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]oxamide
CID 108502741
N-(2,4-dichlorophenyl)-N'-(3,5-dimethylphenyl)oxamide
CID 108502902
N-(2,5-dichlorophenyl)-N'-propan-2-yloxamide
CID 2988512
(2S)-N-(2,4-dichlorophenyl)-2-methylpentanamide
CID 884870
N'-butan-2-yl-N-(4-chloro-2-methylphenyl)propanediamide
CID 108941850

Frequently Asked Questions

What is the IUPAC name of N'-butan-2-yl-N-(2,4-dichlorophenyl)oxamide?
The IUPAC name of N'-butan-2-yl-N-(2,4-dichlorophenyl)oxamide (CID 108502714) is N'-butan-2-yl-N-(2,4-dichlorophenyl)oxamide.
What is the SMILES notation for N'-butan-2-yl-N-(2,4-dichlorophenyl)oxamide?
The canonical SMILES for N'-butan-2-yl-N-(2,4-dichlorophenyl)oxamide is CCC(C)NC(=O)C(=O)Nc1ccc(Cl)cc1Cl.
What is the InChIKey of N'-butan-2-yl-N-(2,4-dichlorophenyl)oxamide?
The InChIKey is SBMJJFYYZSMROT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2N2O2/c1-3-7(2)15-11(17)12(18)16-10-5-4-8(13)6-9(10)14/h4-7H,3H2,1-2H3,(H,15,17)(H,16,18).
What are the key properties of N'-butan-2-yl-N-(2,4-dichlorophenyl)oxamide?
N'-butan-2-yl-N-(2,4-dichlorophenyl)oxamide has a molecular weight of 289.16 g/mol, XLogP of 2.85, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butan-2-yl-N-(2,4-dichlorophenyl)oxamide is sourced from PubChem (CID 108502714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).