methyl 2-(2-bromo-5-chlorophenyl)-2-(cyclopentylamino)acetate

C14H17BrClNO2 — CID 66157058

IUPACmethyl 2-(2-bromo-5-chlorophenyl)-2-(cyclopentylamino)acetate
SMILESCOC(=O)C(NC1CCCC1)c1cc(Cl)ccc1Br
InChIInChI=1S/C14H17BrClNO2/c1-19-14(18)13(17-10-4-2-3-5-10)11-8-9(16)6-7-12(11)15/h6-8,10,13,17H,2-5H2,1H3
InChIKeyBGTRWNHMJYVWPI-UHFFFAOYSA-N
MW346.65 g/mol
LogP3.85
Rot. Bonds4

About methyl 2-(2-bromo-5-chlorophenyl)-2-(cyclopentylamino)acetate

methyl 2-(2-bromo-5-chlorophenyl)-2-(cyclopentylamino)acetate (PubChem CID 66157058) has the molecular formula C14H17BrClNO2 and a molecular weight of 346.65 g/mol. Its IUPAC name is methyl 2-(2-bromo-5-chlorophenyl)-2-(cyclopentylamino)acetate.

Molecular Properties

Compound Namemethyl 2-(2-bromo-5-chlorophenyl)-2-(cyclopentylamino)acetate
PubChem CID66157058
Molecular FormulaC14H17BrClNO2
Molecular Weight346.65 g/mol
Exact Mass345.01
IUPAC Namemethyl 2-(2-bromo-5-chlorophenyl)-2-(cyclopentylamino)acetate
SMILESCOC(=O)C(NC1CCCC1)c1cc(Cl)ccc1Br
InChIInChI=1S/C14H17BrClNO2/c1-19-14(18)13(17-10-4-2-3-5-10)11-8-9(16)6-7-12(11)15/h6-8,10,13,17H,2-5H2,1H3
InChIKeyBGTRWNHMJYVWPI-UHFFFAOYSA-N
XLogP3.85
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.65
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(2-bromo-5-chlorophenyl)-2-(cyclohexylamino)acetate
CID 66157260
methyl 2-(cyclopentylamino)-2-(2,5-dichlorophenyl)acetate
CID 114076211
methyl 2-(2-chlorophenyl)-2-(cyclopentylamino)acetate
CID 60727132
methyl 2-(4-bromo-5-chlorothiophen-2-yl)-2-(cycloheptylamino)acetate
CID 102840978
methyl 2-(3-chloro-4-fluorophenyl)-2-(cyclopentylamino)acetate
CID 81146135
methyl 2-amino-2-(2-bromo-5-chlorophenyl)acetate
CID 66156456
2-(5-chloro-2-fluorophenyl)-2-(cycloheptylamino)acetic acid
CID 114843747
1-(2-bromo-5-chlorophenyl)-N-cyclohexylethane-1,2-diamine
CID 66158422
2-(2-bromo-5-chlorophenyl)-2-chloro-N-cyclohexylacetamide
CID 66158767
ethyl 2-(4-chloro-2-fluorophenyl)-2-(cyclohexylamino)acetate
CID 114843746
methyl 2-(3-chloro-2-fluorophenyl)-2-(cycloheptylamino)acetate
CID 114488196
methyl 2-(2-bromo-5-chlorophenyl)-2-(2-methylanilino)acetate
CID 66157255

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-bromo-5-chlorophenyl)-2-(cyclopentylamino)acetate?
The IUPAC name of methyl 2-(2-bromo-5-chlorophenyl)-2-(cyclopentylamino)acetate (CID 66157058) is methyl 2-(2-bromo-5-chlorophenyl)-2-(cyclopentylamino)acetate.
What is the SMILES notation for methyl 2-(2-bromo-5-chlorophenyl)-2-(cyclopentylamino)acetate?
The canonical SMILES for methyl 2-(2-bromo-5-chlorophenyl)-2-(cyclopentylamino)acetate is COC(=O)C(NC1CCCC1)c1cc(Cl)ccc1Br.
What is the InChIKey of methyl 2-(2-bromo-5-chlorophenyl)-2-(cyclopentylamino)acetate?
The InChIKey is BGTRWNHMJYVWPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrClNO2/c1-19-14(18)13(17-10-4-2-3-5-10)11-8-9(16)6-7-12(11)15/h6-8,10,13,17H,2-5H2,1H3.
What are the key properties of methyl 2-(2-bromo-5-chlorophenyl)-2-(cyclopentylamino)acetate?
methyl 2-(2-bromo-5-chlorophenyl)-2-(cyclopentylamino)acetate has a molecular weight of 346.65 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-bromo-5-chlorophenyl)-2-(cyclopentylamino)acetate is sourced from PubChem (CID 66157058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).