N-(2,5-dichlorophenyl)-N'-propan-2-yloxamide

C11H12Cl2N2O2 — CID 2988512

IUPACN-(2,5-dichlorophenyl)-N'-propan-2-yloxamide
SMILESCC(C)NC(=O)C(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C11H12Cl2N2O2/c1-6(2)14-10(16)11(17)15-9-5-7(12)3-4-8(9)13/h3-6H,1-2H3,(H,14,16)(H,15,17)
InChIKeyIWNALQAPCGJGGL-UHFFFAOYSA-N
MW275.13 g/mol
LogP2.46
Rot. Bonds2

About N-(2,5-dichlorophenyl)-N'-propan-2-yloxamide

N-(2,5-dichlorophenyl)-N'-propan-2-yloxamide (PubChem CID 2988512) has the molecular formula C11H12Cl2N2O2 and a molecular weight of 275.13 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-N'-propan-2-yloxamide.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-N'-propan-2-yloxamide
PubChem CID2988512
Molecular FormulaC11H12Cl2N2O2
Molecular Weight275.13 g/mol
Exact Mass274.03
IUPAC NameN-(2,5-dichlorophenyl)-N'-propan-2-yloxamide
SMILESCC(C)NC(=O)C(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C11H12Cl2N2O2/c1-6(2)14-10(16)11(17)15-9-5-7(12)3-4-8(9)13/h3-6H,1-2H3,(H,14,16)(H,15,17)
InChIKeyIWNALQAPCGJGGL-UHFFFAOYSA-N
XLogP2.46
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.13
LogP ≤ 52.46
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

methyl 2-(2,5-dichloroanilino)-2-oxoacetate
CID 11543309
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(Z)-2-cyano-3-(2,5-dichloroanilino)-N-propan-2-ylprop-2-enamide
CID 108829487
2-N-(2,5-dichlorophenyl)-6-N-propan-2-ylpyridine-2,6-dicarboxamide
CID 109093790
(2S)-2-bromo-N-(2,5-dichlorophenyl)propanamide
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1-(2,5-dichlorophenyl)-3-(3-oxobutan-2-yl)urea
CID 64994195
N'-(2,5-dichlorophenyl)-N-(2,4-dimethylphenyl)oxamide
CID 108500949
1-(2,5-dichlorophenyl)-3-[(2S)-1-hydroxypropan-2-yl]urea
CID 79023669
N-(3-acetamidophenyl)-N'-(2,5-dichlorophenyl)oxamide
CID 108501018
2-chloro-N-[(2,5-dichlorophenyl)carbamoyl]propanamide
CID 43145990
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CID 108500926

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-N'-propan-2-yloxamide?
The IUPAC name of N-(2,5-dichlorophenyl)-N'-propan-2-yloxamide (CID 2988512) is N-(2,5-dichlorophenyl)-N'-propan-2-yloxamide.
What is the SMILES notation for N-(2,5-dichlorophenyl)-N'-propan-2-yloxamide?
The canonical SMILES for N-(2,5-dichlorophenyl)-N'-propan-2-yloxamide is CC(C)NC(=O)C(=O)Nc1cc(Cl)ccc1Cl.
What is the InChIKey of N-(2,5-dichlorophenyl)-N'-propan-2-yloxamide?
The InChIKey is IWNALQAPCGJGGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2N2O2/c1-6(2)14-10(16)11(17)15-9-5-7(12)3-4-8(9)13/h3-6H,1-2H3,(H,14,16)(H,15,17).
What are the key properties of N-(2,5-dichlorophenyl)-N'-propan-2-yloxamide?
N-(2,5-dichlorophenyl)-N'-propan-2-yloxamide has a molecular weight of 275.13 g/mol, XLogP of 2.46, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichlorophenyl)-N'-propan-2-yloxamide is sourced from PubChem (CID 2988512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).