2-chloroethyl 2-(5-amino-2-chlorophenyl)propanoate

C11H13Cl2NO2 — CID 70241837

IUPAC2-chloroethyl 2-(5-amino-2-chlorophenyl)propanoate
SMILESCC(C(=O)OCCCl)c1cc(N)ccc1Cl
InChIInChI=1S/C11H13Cl2NO2/c1-7(11(15)16-5-4-12)9-6-8(14)2-3-10(9)13/h2-3,6-7H,4-5,14H2,1H3
InChIKeyXCBZNPLBWLSUQM-UHFFFAOYSA-N
MW262.14 g/mol
LogP2.81
Rot. Bonds4

About 2-chloroethyl 2-(5-amino-2-chlorophenyl)propanoate

2-chloroethyl 2-(5-amino-2-chlorophenyl)propanoate (PubChem CID 70241837) has the molecular formula C11H13Cl2NO2 and a molecular weight of 262.14 g/mol. Its IUPAC name is 2-chloroethyl 2-(5-amino-2-chlorophenyl)propanoate.

Molecular Properties

Compound Name2-chloroethyl 2-(5-amino-2-chlorophenyl)propanoate
PubChem CID70241837
Molecular FormulaC11H13Cl2NO2
Molecular Weight262.14 g/mol
Exact Mass261.03
IUPAC Name2-chloroethyl 2-(5-amino-2-chlorophenyl)propanoate
SMILESCC(C(=O)OCCCl)c1cc(N)ccc1Cl
InChIInChI=1S/C11H13Cl2NO2/c1-7(11(15)16-5-4-12)9-6-8(14)2-3-10(9)13/h2-3,6-7H,4-5,14H2,1H3
InChIKeyXCBZNPLBWLSUQM-UHFFFAOYSA-N
XLogP2.81
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.14
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Methyl 2-(3-aminophenyl)propanoate
CID 13054267
Ethyl 2-(3-aminophenyl)propanoate
CID 54475761
Ethyl 2-(3-aminophenyl)acetate hydrochloride
CID 66640484
2-(5-Amino-2-chloro-4-fluorophenyl)propanoic acid
CID 54243036
Ethyl 2-(2-chloro-4-fluoro-5-hydrazinylphenyl)acetate
CID 57042633
Methyl 2-(5-amino-2-chloro-4-fluorophenyl)acetate
CID 57179795
Methyl 2-(5-amino-2-chloro-4-fluorophenyl)-2-sulfanylacetate
CID 57252715
Propan-2-yl 2-(5-amino-2-chloro-4-fluorophenyl)-2-sulfanylacetate
CID 57288597
Ethyl 2-(5-amino-2-chloro-4-fluorophenyl)acetate
CID 69297881
Ethyl 2-(3-amino-4-chlorophenyl)-2,2-difluoroacetate
CID 83855006
Ethyl 2-(3-amino-6-chloro-2-fluorophenyl)acetate
CID 89606129
Ethyl 2-[5-amino-2-chloro-4-(trifluoromethyl)phenyl]acetate
CID 164549743

Frequently Asked Questions

What is the IUPAC name of 2-chloroethyl 2-(5-amino-2-chlorophenyl)propanoate?
The IUPAC name of 2-chloroethyl 2-(5-amino-2-chlorophenyl)propanoate (CID 70241837) is 2-chloroethyl 2-(5-amino-2-chlorophenyl)propanoate.
What is the SMILES notation for 2-chloroethyl 2-(5-amino-2-chlorophenyl)propanoate?
The canonical SMILES for 2-chloroethyl 2-(5-amino-2-chlorophenyl)propanoate is CC(C(=O)OCCCl)c1cc(N)ccc1Cl.
What is the InChIKey of 2-chloroethyl 2-(5-amino-2-chlorophenyl)propanoate?
The InChIKey is XCBZNPLBWLSUQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2NO2/c1-7(11(15)16-5-4-12)9-6-8(14)2-3-10(9)13/h2-3,6-7H,4-5,14H2,1H3.
What are the key properties of 2-chloroethyl 2-(5-amino-2-chlorophenyl)propanoate?
2-chloroethyl 2-(5-amino-2-chlorophenyl)propanoate has a molecular weight of 262.14 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloroethyl 2-(5-amino-2-chlorophenyl)propanoate is sourced from PubChem (CID 70241837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).