ethyl 2-(3-chloro-4-fluorophenyl)-2-(cyclopropylamino)acetate

C13H15ClFNO2 — CID 81146015

IUPACethyl 2-(3-chloro-4-fluorophenyl)-2-(cyclopropylamino)acetate
SMILESCCOC(=O)C(NC1CC1)c1ccc(F)c(Cl)c1
InChIInChI=1S/C13H15ClFNO2/c1-2-18-13(17)12(16-9-4-5-9)8-3-6-11(15)10(14)7-8/h3,6-7,9,12,16H,2,4-5H2,1H3
InChIKeyFYIVJBLNQQCHAQ-UHFFFAOYSA-N
MW271.72 g/mol
LogP2.84
Rot. Bonds5

About ethyl 2-(3-chloro-4-fluorophenyl)-2-(cyclopropylamino)acetate

ethyl 2-(3-chloro-4-fluorophenyl)-2-(cyclopropylamino)acetate (PubChem CID 81146015) has the molecular formula C13H15ClFNO2 and a molecular weight of 271.72 g/mol. Its IUPAC name is ethyl 2-(3-chloro-4-fluorophenyl)-2-(cyclopropylamino)acetate.

Molecular Properties

Compound Nameethyl 2-(3-chloro-4-fluorophenyl)-2-(cyclopropylamino)acetate
PubChem CID81146015
Molecular FormulaC13H15ClFNO2
Molecular Weight271.72 g/mol
Exact Mass271.08
IUPAC Nameethyl 2-(3-chloro-4-fluorophenyl)-2-(cyclopropylamino)acetate
SMILESCCOC(=O)C(NC1CC1)c1ccc(F)c(Cl)c1
InChIInChI=1S/C13H15ClFNO2/c1-2-18-13(17)12(16-9-4-5-9)8-3-6-11(15)10(14)7-8/h3,6-7,9,12,16H,2,4-5H2,1H3
InChIKeyFYIVJBLNQQCHAQ-UHFFFAOYSA-N
XLogP2.84
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.72
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(3-chloro-4-fluorophenyl)-2-(cyclopentylamino)acetate
CID 81146254
methyl 2-(3-chloro-4-fluorophenyl)-2-(cyclopentylamino)acetate
CID 81146135
ethyl 2-(cyclopropylamino)-2-(3,4,5-trifluorophenyl)acetate
CID 55147934
ethyl 2-(cyclopropylamino)-2-(2,4-dichlorophenyl)acetate
CID 54918547
ethyl 2-(3-chloro-4-fluorophenyl)-2-(prop-2-ynylamino)acetate
CID 81145682
ethyl 2-(3-chlorophenyl)-2-(cyclopentylamino)acetate
CID 54893052
ethyl 2-(4-bromo-3-fluorophenyl)-2-(cyclohexylamino)acetate
CID 81431210
ethyl 2-(cyclopentylamino)-2-(3,5-dichlorophenyl)acetate
CID 60998051
2-(3-chloro-4-fluorophenyl)-2-(cyclopentylamino)acetic acid
CID 81146022
ethyl 2-(4-chloro-2-fluorophenyl)-2-(cyclohexylamino)acetate
CID 114843746
ethyl 2-(3-chloro-4-fluorophenyl)-2-hydroxyacetate
CID 81166639
ethyl 2-(cyclopentylamino)-2-(3-fluorophenyl)acetate
CID 54892911

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-chloro-4-fluorophenyl)-2-(cyclopropylamino)acetate?
The IUPAC name of ethyl 2-(3-chloro-4-fluorophenyl)-2-(cyclopropylamino)acetate (CID 81146015) is ethyl 2-(3-chloro-4-fluorophenyl)-2-(cyclopropylamino)acetate.
What is the SMILES notation for ethyl 2-(3-chloro-4-fluorophenyl)-2-(cyclopropylamino)acetate?
The canonical SMILES for ethyl 2-(3-chloro-4-fluorophenyl)-2-(cyclopropylamino)acetate is CCOC(=O)C(NC1CC1)c1ccc(F)c(Cl)c1.
What is the InChIKey of ethyl 2-(3-chloro-4-fluorophenyl)-2-(cyclopropylamino)acetate?
The InChIKey is FYIVJBLNQQCHAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClFNO2/c1-2-18-13(17)12(16-9-4-5-9)8-3-6-11(15)10(14)7-8/h3,6-7,9,12,16H,2,4-5H2,1H3.
What are the key properties of ethyl 2-(3-chloro-4-fluorophenyl)-2-(cyclopropylamino)acetate?
ethyl 2-(3-chloro-4-fluorophenyl)-2-(cyclopropylamino)acetate has a molecular weight of 271.72 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 2-(3-chloro-4-fluorophenyl)-2-(cyclopropylamino)acetate is sourced from PubChem (CID 81146015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).