methyl 2-(cyclopentylamino)-2-(2,5-dichlorophenyl)acetate

C14H17Cl2NO2 — CID 114076211

IUPACmethyl 2-(cyclopentylamino)-2-(2,5-dichlorophenyl)acetate
SMILESCOC(=O)C(NC1CCCC1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C14H17Cl2NO2/c1-19-14(18)13(17-10-4-2-3-5-10)11-8-9(15)6-7-12(11)16/h6-8,10,13,17H,2-5H2,1H3
InChIKeyGZDZAWILGJTENN-UHFFFAOYSA-N
MW302.20 g/mol
LogP3.74
Rot. Bonds4

About methyl 2-(cyclopentylamino)-2-(2,5-dichlorophenyl)acetate

methyl 2-(cyclopentylamino)-2-(2,5-dichlorophenyl)acetate (PubChem CID 114076211) has the molecular formula C14H17Cl2NO2 and a molecular weight of 302.20 g/mol. Its IUPAC name is methyl 2-(cyclopentylamino)-2-(2,5-dichlorophenyl)acetate.

Molecular Properties

Compound Namemethyl 2-(cyclopentylamino)-2-(2,5-dichlorophenyl)acetate
PubChem CID114076211
Molecular FormulaC14H17Cl2NO2
Molecular Weight302.20 g/mol
Exact Mass301.06
IUPAC Namemethyl 2-(cyclopentylamino)-2-(2,5-dichlorophenyl)acetate
SMILESCOC(=O)C(NC1CCCC1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C14H17Cl2NO2/c1-19-14(18)13(17-10-4-2-3-5-10)11-8-9(15)6-7-12(11)16/h6-8,10,13,17H,2-5H2,1H3
InChIKeyGZDZAWILGJTENN-UHFFFAOYSA-N
XLogP3.74
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.20
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(2-bromo-5-chlorophenyl)-2-(cyclopentylamino)acetate
CID 66157058
methyl 2-(2-bromo-5-chlorophenyl)-2-(cyclohexylamino)acetate
CID 66157260
methyl 2-(2-chlorophenyl)-2-(cyclopentylamino)acetate
CID 60727132
methyl 2-(3-chloro-4-fluorophenyl)-2-(cyclopentylamino)acetate
CID 81146135
methyl 2-(3-chloro-2-fluorophenyl)-2-(cycloheptylamino)acetate
CID 114488196
2-(5-chloro-2-fluorophenyl)-2-(cycloheptylamino)acetic acid
CID 114843747
2-(cyclohexylamino)-2-(2,4-dichlorophenyl)acetamide
CID 54894576
ethyl 2-(4-chloro-2-fluorophenyl)-2-(cyclohexylamino)acetate
CID 114843746
ethyl 2-(cyclopropylamino)-2-(2,4-dichlorophenyl)acetate
CID 54918547
methyl 2-amino-2-(2,5-dichlorophenyl)acetate;hydrochloride
CID 162344729
2-(cyclopropylamino)-2-(2,4-dichlorophenyl)acetic acid
CID 43754588
methyl 2-(cyclohexylamino)-2-phenylacetate
CID 3755192

Frequently Asked Questions

What is the IUPAC name of methyl 2-(cyclopentylamino)-2-(2,5-dichlorophenyl)acetate?
The IUPAC name of methyl 2-(cyclopentylamino)-2-(2,5-dichlorophenyl)acetate (CID 114076211) is methyl 2-(cyclopentylamino)-2-(2,5-dichlorophenyl)acetate.
What is the SMILES notation for methyl 2-(cyclopentylamino)-2-(2,5-dichlorophenyl)acetate?
The canonical SMILES for methyl 2-(cyclopentylamino)-2-(2,5-dichlorophenyl)acetate is COC(=O)C(NC1CCCC1)c1cc(Cl)ccc1Cl.
What is the InChIKey of methyl 2-(cyclopentylamino)-2-(2,5-dichlorophenyl)acetate?
The InChIKey is GZDZAWILGJTENN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2NO2/c1-19-14(18)13(17-10-4-2-3-5-10)11-8-9(15)6-7-12(11)16/h6-8,10,13,17H,2-5H2,1H3.
What are the key properties of methyl 2-(cyclopentylamino)-2-(2,5-dichlorophenyl)acetate?
methyl 2-(cyclopentylamino)-2-(2,5-dichlorophenyl)acetate has a molecular weight of 302.20 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(cyclopentylamino)-2-(2,5-dichlorophenyl)acetate is sourced from PubChem (CID 114076211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).