methyl 2-(3-chloro-4-fluorophenyl)-2-(cyclopentylamino)acetate

C14H17ClFNO2 — CID 81146135

IUPACmethyl 2-(3-chloro-4-fluorophenyl)-2-(cyclopentylamino)acetate
SMILESCOC(=O)C(NC1CCCC1)c1ccc(F)c(Cl)c1
InChIInChI=1S/C14H17ClFNO2/c1-19-14(18)13(17-10-4-2-3-5-10)9-6-7-12(16)11(15)8-9/h6-8,10,13,17H,2-5H2,1H3
InChIKeyLTOHKTYAXIXHPS-UHFFFAOYSA-N
MW285.75 g/mol
LogP3.23
Rot. Bonds4

About methyl 2-(3-chloro-4-fluorophenyl)-2-(cyclopentylamino)acetate

methyl 2-(3-chloro-4-fluorophenyl)-2-(cyclopentylamino)acetate (PubChem CID 81146135) has the molecular formula C14H17ClFNO2 and a molecular weight of 285.75 g/mol. Its IUPAC name is methyl 2-(3-chloro-4-fluorophenyl)-2-(cyclopentylamino)acetate.

Molecular Properties

Compound Namemethyl 2-(3-chloro-4-fluorophenyl)-2-(cyclopentylamino)acetate
PubChem CID81146135
Molecular FormulaC14H17ClFNO2
Molecular Weight285.75 g/mol
Exact Mass285.09
IUPAC Namemethyl 2-(3-chloro-4-fluorophenyl)-2-(cyclopentylamino)acetate
SMILESCOC(=O)C(NC1CCCC1)c1ccc(F)c(Cl)c1
InChIInChI=1S/C14H17ClFNO2/c1-19-14(18)13(17-10-4-2-3-5-10)9-6-7-12(16)11(15)8-9/h6-8,10,13,17H,2-5H2,1H3
InChIKeyLTOHKTYAXIXHPS-UHFFFAOYSA-N
XLogP3.23
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.75
LogP ≤ 53.23
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
2-(3-chloro-4-fluorophenyl)-2-(cyclopentylamino)acetic acid
CID 81146022
ethyl 2-(3-chloro-4-fluorophenyl)-2-(cyclopropylamino)acetate
CID 81146015
methyl 2-(cyclopentylamino)-2-(2,5-dichlorophenyl)acetate
CID 114076211
methyl 2-(cyclopentylamino)-2-(3,4-dimethylphenyl)acetate
CID 54894017
methyl 2-(cyclopropylamino)-2-(3-fluoro-4-hydroxyphenyl)acetate
CID 107690174
methyl 2-(cycloheptylamino)-2-(3,5-difluorophenyl)acetate
CID 106528954
methyl 2-(cyclohexylamino)-2-(4-methylsulfanylphenyl)acetate
CID 60997375
methyl 2-(3-chloro-4-fluorophenyl)-2-(oxolan-2-ylmethylamino)acetate
CID 81145280
methyl 2-(2-bromo-5-chlorophenyl)-2-(cyclopentylamino)acetate
CID 66157058
methyl 2-(cyclohexylamino)-2-phenylacetate
CID 3755192
methyl 2-(cyclopentylamino)-2-[3-(trifluoromethyl)phenyl]acetate
CID 60998889

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-chloro-4-fluorophenyl)-2-(cyclopentylamino)acetate?
The IUPAC name of methyl 2-(3-chloro-4-fluorophenyl)-2-(cyclopentylamino)acetate (CID 81146135) is methyl 2-(3-chloro-4-fluorophenyl)-2-(cyclopentylamino)acetate.
What is the SMILES notation for methyl 2-(3-chloro-4-fluorophenyl)-2-(cyclopentylamino)acetate?
The canonical SMILES for methyl 2-(3-chloro-4-fluorophenyl)-2-(cyclopentylamino)acetate is COC(=O)C(NC1CCCC1)c1ccc(F)c(Cl)c1.
What is the InChIKey of methyl 2-(3-chloro-4-fluorophenyl)-2-(cyclopentylamino)acetate?
The InChIKey is LTOHKTYAXIXHPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClFNO2/c1-19-14(18)13(17-10-4-2-3-5-10)9-6-7-12(16)11(15)8-9/h6-8,10,13,17H,2-5H2,1H3.
What are the key properties of methyl 2-(3-chloro-4-fluorophenyl)-2-(cyclopentylamino)acetate?
methyl 2-(3-chloro-4-fluorophenyl)-2-(cyclopentylamino)acetate has a molecular weight of 285.75 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-chloro-4-fluorophenyl)-2-(cyclopentylamino)acetate is sourced from PubChem (CID 81146135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).