ethyl 2-(N-(2-chloroacetyl)anilino)acetate

C12H14ClNO3 — CID 2060522

IUPACethyl 2-(N-(2-chloroacetyl)anilino)acetate
SMILESCCOC(=O)CN(C(=O)CCl)c1ccccc1
InChIInChI=1S/C12H14ClNO3/c1-2-17-12(16)9-14(11(15)8-13)10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3
InChIKeySGQRYQFBLARGLN-UHFFFAOYSA-N
MW255.70 g/mol
LogP1.82
Rot. Bonds5

About ethyl 2-(N-(2-chloroacetyl)anilino)acetate

ethyl 2-(N-(2-chloroacetyl)anilino)acetate (PubChem CID 2060522) has the molecular formula C12H14ClNO3 and a molecular weight of 255.70 g/mol. Its IUPAC name is ethyl 2-(N-(2-chloroacetyl)anilino)acetate.

Molecular Properties

Compound Nameethyl 2-(N-(2-chloroacetyl)anilino)acetate
PubChem CID2060522
Molecular FormulaC12H14ClNO3
Molecular Weight255.70 g/mol
Exact Mass255.07
IUPAC Nameethyl 2-(N-(2-chloroacetyl)anilino)acetate
SMILESCCOC(=O)CN(C(=O)CCl)c1ccccc1
InChIInChI=1S/C12H14ClNO3/c1-2-17-12(16)9-14(11(15)8-13)10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3
InChIKeySGQRYQFBLARGLN-UHFFFAOYSA-N
XLogP1.82
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.70
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(N-(2-chloroacetyl)anilino)acetate?
The IUPAC name of ethyl 2-(N-(2-chloroacetyl)anilino)acetate (CID 2060522) is ethyl 2-(N-(2-chloroacetyl)anilino)acetate.
What is the SMILES notation for ethyl 2-(N-(2-chloroacetyl)anilino)acetate?
The canonical SMILES for ethyl 2-(N-(2-chloroacetyl)anilino)acetate is CCOC(=O)CN(C(=O)CCl)c1ccccc1.
What is the InChIKey of ethyl 2-(N-(2-chloroacetyl)anilino)acetate?
The InChIKey is SGQRYQFBLARGLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO3/c1-2-17-12(16)9-14(11(15)8-13)10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3.
What are the key properties of ethyl 2-(N-(2-chloroacetyl)anilino)acetate?
ethyl 2-(N-(2-chloroacetyl)anilino)acetate has a molecular weight of 255.70 g/mol, XLogP of 1.82, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(N-(2-chloroacetyl)anilino)acetate is sourced from PubChem (CID 2060522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).