ethyl 2-[4-(2-amino-6-chloroanilino)phenyl]propanoate

C17H19ClN2O2 — CID 91569501

IUPACethyl 2-[4-(2-amino-6-chloroanilino)phenyl]propanoate
SMILESCCOC(=O)C(C)c1ccc(Nc2c(N)cccc2Cl)cc1
InChIInChI=1S/C17H19ClN2O2/c1-3-22-17(21)11(2)12-7-9-13(10-8-12)20-16-14(18)5-4-6-15(16)19/h4-11,20H,3,19H2,1-2H3
InChIKeyIEJLXDQUYKCINH-UHFFFAOYSA-N
MW318.80 g/mol
LogP4.33
Rot. Bonds5

About ethyl 2-[4-(2-amino-6-chloroanilino)phenyl]propanoate

ethyl 2-[4-(2-amino-6-chloroanilino)phenyl]propanoate (PubChem CID 91569501) has the molecular formula C17H19ClN2O2 and a molecular weight of 318.80 g/mol. Its IUPAC name is ethyl 2-[4-(2-amino-6-chloroanilino)phenyl]propanoate.

Molecular Properties

Compound Nameethyl 2-[4-(2-amino-6-chloroanilino)phenyl]propanoate
PubChem CID91569501
Molecular FormulaC17H19ClN2O2
Molecular Weight318.80 g/mol
Exact Mass318.11
IUPAC Nameethyl 2-[4-(2-amino-6-chloroanilino)phenyl]propanoate
SMILESCCOC(=O)C(C)c1ccc(Nc2c(N)cccc2Cl)cc1
InChIInChI=1S/C17H19ClN2O2/c1-3-22-17(21)11(2)12-7-9-13(10-8-12)20-16-14(18)5-4-6-15(16)19/h4-11,20H,3,19H2,1-2H3
InChIKeyIEJLXDQUYKCINH-UHFFFAOYSA-N
XLogP4.33
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.80
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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ethyl 2-[4-(1,3-thiazol-2-ylamino)phenyl]propanoate
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methyl 2-(2-amino-6-chloroanilino)propanoate
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ethyl (2R)-2-(4-iodophenyl)propanoate
CID 129387500
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ethyl 2-[(2-amino-6-chlorophenyl)sulfamoyl]acetate
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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-(2-amino-6-chloroanilino)phenyl]propanoate?
The IUPAC name of ethyl 2-[4-(2-amino-6-chloroanilino)phenyl]propanoate (CID 91569501) is ethyl 2-[4-(2-amino-6-chloroanilino)phenyl]propanoate.
What is the SMILES notation for ethyl 2-[4-(2-amino-6-chloroanilino)phenyl]propanoate?
The canonical SMILES for ethyl 2-[4-(2-amino-6-chloroanilino)phenyl]propanoate is CCOC(=O)C(C)c1ccc(Nc2c(N)cccc2Cl)cc1.
What is the InChIKey of ethyl 2-[4-(2-amino-6-chloroanilino)phenyl]propanoate?
The InChIKey is IEJLXDQUYKCINH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O2/c1-3-22-17(21)11(2)12-7-9-13(10-8-12)20-16-14(18)5-4-6-15(16)19/h4-11,20H,3,19H2,1-2H3.
What are the key properties of ethyl 2-[4-(2-amino-6-chloroanilino)phenyl]propanoate?
ethyl 2-[4-(2-amino-6-chloroanilino)phenyl]propanoate has a molecular weight of 318.80 g/mol, XLogP of 4.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-(2-amino-6-chloroanilino)phenyl]propanoate is sourced from PubChem (CID 91569501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).