2-(2-ethylanilino)-2-oxoacetyl chloride

C10H10ClNO2 — CID 87858291

IUPAC2-(2-ethylanilino)-2-oxoacetyl chloride
SMILESCCc1ccccc1NC(=O)C(=O)Cl
InChIInChI=1S/C10H10ClNO2/c1-2-7-5-3-4-6-8(7)12-10(14)9(11)13/h3-6H,2H2,1H3,(H,12,14)
InChIKeyGGURPMSBVPIBSV-UHFFFAOYSA-N
MW211.65 g/mol
LogP1.95
Rot. Bonds3

About 2-(2-ethylanilino)-2-oxoacetyl chloride

2-(2-ethylanilino)-2-oxoacetyl chloride (PubChem CID 87858291) has the molecular formula C10H10ClNO2 and a molecular weight of 211.65 g/mol. Its IUPAC name is 2-(2-ethylanilino)-2-oxoacetyl chloride.

Molecular Properties

Compound Name2-(2-ethylanilino)-2-oxoacetyl chloride
PubChem CID87858291
Molecular FormulaC10H10ClNO2
Molecular Weight211.65 g/mol
Exact Mass211.04
IUPAC Name2-(2-ethylanilino)-2-oxoacetyl chloride
SMILESCCc1ccccc1NC(=O)C(=O)Cl
InChIInChI=1S/C10H10ClNO2/c1-2-7-5-3-4-6-8(7)12-10(14)9(11)13/h3-6H,2H2,1H3,(H,12,14)
InChIKeyGGURPMSBVPIBSV-UHFFFAOYSA-N
XLogP1.95
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.65
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-ethylphenyl)-2-methylprop-2-enamide
CID 54544779
N,N'-bis(2-ethylphenyl)propanediamide
CID 3881876
N'-(3,5-dichlorophenyl)-N-(2-ethylphenyl)oxamide
CID 108530358
N'-(2-carbamoylphenyl)-N-(2-ethylphenyl)oxamide
CID 108529346
N-[(2-chlorophenyl)methyl]-N'-(2-ethylphenyl)oxamide
CID 2266307
1-N,2-N-bis(2-ethylphenyl)benzene-1,2-dicarboxamide
CID 4151337
1,3-bis(2-ethylphenyl)thiourea
CID 3034485
N,N'-bis(2-ethylphenyl)-2,2-dimethylpropanediamide
CID 108968190
N-(2-ethylphenyl)-2-methylbutanamide
CID 3140517
N,N'-bis(2-ethylphenyl)-2,2,3,3,4,4,5,5-octafluorohexanediamide
CID 5203478
N'-(2-ethylphenyl)-N-naphthalen-2-yloxamide
CID 108528326
N-(2-ethylphenyl)-N'-(2-hydroxy-5-methylphenyl)oxamide
CID 108522737

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylanilino)-2-oxoacetyl chloride?
The IUPAC name of 2-(2-ethylanilino)-2-oxoacetyl chloride (CID 87858291) is 2-(2-ethylanilino)-2-oxoacetyl chloride.
What is the SMILES notation for 2-(2-ethylanilino)-2-oxoacetyl chloride?
The canonical SMILES for 2-(2-ethylanilino)-2-oxoacetyl chloride is CCc1ccccc1NC(=O)C(=O)Cl.
What is the InChIKey of 2-(2-ethylanilino)-2-oxoacetyl chloride?
The InChIKey is GGURPMSBVPIBSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNO2/c1-2-7-5-3-4-6-8(7)12-10(14)9(11)13/h3-6H,2H2,1H3,(H,12,14).
What are the key properties of 2-(2-ethylanilino)-2-oxoacetyl chloride?
2-(2-ethylanilino)-2-oxoacetyl chloride has a molecular weight of 211.65 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylanilino)-2-oxoacetyl chloride is sourced from PubChem (CID 87858291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).