ethyl 3-(3-chloro-5-fluoroanilino)propanoate

C11H13ClFNO2 — CID 107364886

IUPACethyl 3-(3-chloro-5-fluoroanilino)propanoate
SMILESCCOC(=O)CCNc1cc(F)cc(Cl)c1
InChIInChI=1S/C11H13ClFNO2/c1-2-16-11(15)3-4-14-10-6-8(12)5-9(13)7-10/h5-7,14H,2-4H2,1H3
InChIKeyJWYZGSOLROYEKQ-UHFFFAOYSA-N
MW245.68 g/mol
LogP2.84
Rot. Bonds5

About ethyl 3-(3-chloro-5-fluoroanilino)propanoate

ethyl 3-(3-chloro-5-fluoroanilino)propanoate (PubChem CID 107364886) has the molecular formula C11H13ClFNO2 and a molecular weight of 245.68 g/mol. Its IUPAC name is ethyl 3-(3-chloro-5-fluoroanilino)propanoate.

Molecular Properties

Compound Nameethyl 3-(3-chloro-5-fluoroanilino)propanoate
PubChem CID107364886
Molecular FormulaC11H13ClFNO2
Molecular Weight245.68 g/mol
Exact Mass245.06
IUPAC Nameethyl 3-(3-chloro-5-fluoroanilino)propanoate
SMILESCCOC(=O)CCNc1cc(F)cc(Cl)c1
InChIInChI=1S/C11H13ClFNO2/c1-2-16-11(15)3-4-14-10-6-8(12)5-9(13)7-10/h5-7,14H,2-4H2,1H3
InChIKeyJWYZGSOLROYEKQ-UHFFFAOYSA-N
XLogP2.84
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.68
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-chloro-5-fluoroanilino)-N-ethylpropanamide
CID 107365336
ethyl 3-(3-chloro-5-fluoroanilino)-2-methylpropanoate
CID 107364733
ethyl 3-(5-chloro-2-fluoroanilino)propanoate
CID 43438452
1-N-(3-chloro-5-fluorophenyl)-2-methylpropane-1,2-diamine
CID 130589138
3-(3,5-dimethylanilino)propanamide;ethyl 3-(3,5-dimethylanilino)propanoate;methane
CID 160767961
ethyl 3-anilinopropanoate
CID 10910393
ethyl 3-(4-methylanilino)propanoate
CID 23052674
ethyl 4-(3-cyano-5-fluoroanilino)butanoate
CID 102816596
2-(3-chloro-5-fluoroanilino)-N-propylacetamide
CID 103773177
ethyl 3-(3-chloro-4-methoxyanilino)propanoate
CID 43174181
ethyl 3-[(3,5-dichlorobenzoyl)amino]propanoate
CID 47437680
ethyl 3-(3,4-dibromoanilino)propanoate
CID 23052858

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(3-chloro-5-fluoroanilino)propanoate?
The IUPAC name of ethyl 3-(3-chloro-5-fluoroanilino)propanoate (CID 107364886) is ethyl 3-(3-chloro-5-fluoroanilino)propanoate.
What is the SMILES notation for ethyl 3-(3-chloro-5-fluoroanilino)propanoate?
The canonical SMILES for ethyl 3-(3-chloro-5-fluoroanilino)propanoate is CCOC(=O)CCNc1cc(F)cc(Cl)c1.
What is the InChIKey of ethyl 3-(3-chloro-5-fluoroanilino)propanoate?
The InChIKey is JWYZGSOLROYEKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClFNO2/c1-2-16-11(15)3-4-14-10-6-8(12)5-9(13)7-10/h5-7,14H,2-4H2,1H3.
What are the key properties of ethyl 3-(3-chloro-5-fluoroanilino)propanoate?
ethyl 3-(3-chloro-5-fluoroanilino)propanoate has a molecular weight of 245.68 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(3-chloro-5-fluoroanilino)propanoate is sourced from PubChem (CID 107364886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).