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

C14H18ClNO3 — CID 23275207

IUPACethyl 2-(N-(2-chloroacetyl)-2-ethylanilino)acetate
SMILESCCOC(=O)CN(C(=O)CCl)c1ccccc1CC
InChIInChI=1S/C14H18ClNO3/c1-3-11-7-5-6-8-12(11)16(13(17)9-15)10-14(18)19-4-2/h5-8H,3-4,9-10H2,1-2H3
InChIKeyKYCBTHUIPBFLGE-UHFFFAOYSA-N
MW283.76 g/mol
LogP2.38
Rot. Bonds6

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

ethyl 2-(N-(2-chloroacetyl)-2-ethylanilino)acetate (PubChem CID 23275207) has the molecular formula C14H18ClNO3 and a molecular weight of 283.76 g/mol. Its IUPAC name is ethyl 2-(N-(2-chloroacetyl)-2-ethylanilino)acetate.

Molecular Properties

Compound Nameethyl 2-(N-(2-chloroacetyl)-2-ethylanilino)acetate
PubChem CID23275207
Molecular FormulaC14H18ClNO3
Molecular Weight283.76 g/mol
Exact Mass283.10
IUPAC Nameethyl 2-(N-(2-chloroacetyl)-2-ethylanilino)acetate
SMILESCCOC(=O)CN(C(=O)CCl)c1ccccc1CC
InChIInChI=1S/C14H18ClNO3/c1-3-11-7-5-6-8-12(11)16(13(17)9-15)10-14(18)19-4-2/h5-8H,3-4,9-10H2,1-2H3
InChIKeyKYCBTHUIPBFLGE-UHFFFAOYSA-N
XLogP2.38
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-(2-ethylphenyl)-N-(pyrazol-1-ylmethyl)acetamide
CID 19604920
ethyl 2-(N-(2-ethoxy-2-oxoethyl)-2,6-diethylanilino)acetate
CID 57065804
ethyl 2-(2-ethylphenyl)acetate
CID 45489731
ethyl 2-[2-(chloromethyl)phenyl]acetate
CID 13386156
2-chloro-N-(2,6-diethylphenyl)-N-ethylacetamide
CID 163807844
ethyl 2-(4-chloro-N-(2-phenylacetyl)anilino)acetate
CID 14856955
ethyl 2-(2-amino-N-ethylanilino)acetate
CID 62102481
ethyl 2-(2-ethylphenyl)sulfanylacetate
CID 86276480
2-chloro-N-(2-fluorophenyl)-N-[(2-methylphenyl)methyl]acetamide
CID 39398782
ethyl 2-[methyl-[2-(2-methylphenyl)ethyl]amino]acetate
CID 115257571
2-(N-(2-chloroacetyl)-2-ethyl-6-methylanilino)-N-hydroxy-N-methylacetamide
CID 12810720
ethyl 2-[benzyl-(2-ethoxy-2-oxoethyl)amino]acetate
CID 5235503

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(N-(2-chloroacetyl)-2-ethylanilino)acetate?
The IUPAC name of ethyl 2-(N-(2-chloroacetyl)-2-ethylanilino)acetate (CID 23275207) is ethyl 2-(N-(2-chloroacetyl)-2-ethylanilino)acetate.
What is the SMILES notation for ethyl 2-(N-(2-chloroacetyl)-2-ethylanilino)acetate?
The canonical SMILES for ethyl 2-(N-(2-chloroacetyl)-2-ethylanilino)acetate is CCOC(=O)CN(C(=O)CCl)c1ccccc1CC.
What is the InChIKey of ethyl 2-(N-(2-chloroacetyl)-2-ethylanilino)acetate?
The InChIKey is KYCBTHUIPBFLGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO3/c1-3-11-7-5-6-8-12(11)16(13(17)9-15)10-14(18)19-4-2/h5-8H,3-4,9-10H2,1-2H3.
What are the key properties of ethyl 2-(N-(2-chloroacetyl)-2-ethylanilino)acetate?
ethyl 2-(N-(2-chloroacetyl)-2-ethylanilino)acetate has a molecular weight of 283.76 g/mol, XLogP of 2.38, 6 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)-2-ethylanilino)acetate is sourced from PubChem (CID 23275207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).