ethyl 2-(5-bromo-2-fluorophenyl)-2-(cyclopentylamino)acetate

C15H19BrFNO2 — CID 60998047

IUPACethyl 2-(5-bromo-2-fluorophenyl)-2-(cyclopentylamino)acetate
SMILESCCOC(=O)C(NC1CCCC1)c1cc(Br)ccc1F
InChIInChI=1S/C15H19BrFNO2/c1-2-20-15(19)14(18-11-5-3-4-6-11)12-9-10(16)7-8-13(12)17/h7-9,11,14,18H,2-6H2,1H3
InChIKeyBRMVLIWZPRZLAA-UHFFFAOYSA-N
MW344.22 g/mol
LogP3.72
Rot. Bonds5

About ethyl 2-(5-bromo-2-fluorophenyl)-2-(cyclopentylamino)acetate

ethyl 2-(5-bromo-2-fluorophenyl)-2-(cyclopentylamino)acetate (PubChem CID 60998047) has the molecular formula C15H19BrFNO2 and a molecular weight of 344.22 g/mol. Its IUPAC name is ethyl 2-(5-bromo-2-fluorophenyl)-2-(cyclopentylamino)acetate.

Molecular Properties

Compound Nameethyl 2-(5-bromo-2-fluorophenyl)-2-(cyclopentylamino)acetate
PubChem CID60998047
Molecular FormulaC15H19BrFNO2
Molecular Weight344.22 g/mol
Exact Mass343.06
IUPAC Nameethyl 2-(5-bromo-2-fluorophenyl)-2-(cyclopentylamino)acetate
SMILESCCOC(=O)C(NC1CCCC1)c1cc(Br)ccc1F
InChIInChI=1S/C15H19BrFNO2/c1-2-20-15(19)14(18-11-5-3-4-6-11)12-9-10(16)7-8-13(12)17/h7-9,11,14,18H,2-6H2,1H3
InChIKeyBRMVLIWZPRZLAA-UHFFFAOYSA-N
XLogP3.72
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.22
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(4-chloro-2-fluorophenyl)-2-(cyclohexylamino)acetate
CID 114843746
ethyl 2-(4-bromo-3-fluorophenyl)-2-(cyclohexylamino)acetate
CID 81431210
ethyl 2-(5-bromo-2-fluorophenyl)-2-(2-methoxyethylamino)acetate
CID 62542248
ethyl 2-(5-bromo-2-fluorophenyl)-2-(2,2,2-trifluoroethylamino)acetate
CID 60998333
2-(4-bromo-2-fluorophenyl)-2-(cyclopentylamino)acetamide
CID 54894373
ethyl 2-(cyclopentylamino)-2-(3-fluorophenyl)acetate
CID 54892911
2-(4-bromo-2-fluorophenyl)-2-(cyclohexylamino)acetamide
CID 54894057
ethyl 2-(cyclopentylamino)-2-(4-hydroxy-3,5-dimethylphenyl)acetate
CID 60998655
ethyl 2-(cyclopentylamino)-2-(3,5-dichlorophenyl)acetate
CID 60998051
2-(5-bromo-2-methoxyphenyl)-2-(cyclopentylamino)acetamide
CID 54894280
ethyl 2-(5-bromothiophen-2-yl)-2-(cycloheptylamino)acetate
CID 61346829
ethyl 2-(3-chlorophenyl)-2-(cyclopentylamino)acetate
CID 54893052

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(5-bromo-2-fluorophenyl)-2-(cyclopentylamino)acetate?
The IUPAC name of ethyl 2-(5-bromo-2-fluorophenyl)-2-(cyclopentylamino)acetate (CID 60998047) is ethyl 2-(5-bromo-2-fluorophenyl)-2-(cyclopentylamino)acetate.
What is the SMILES notation for ethyl 2-(5-bromo-2-fluorophenyl)-2-(cyclopentylamino)acetate?
The canonical SMILES for ethyl 2-(5-bromo-2-fluorophenyl)-2-(cyclopentylamino)acetate is CCOC(=O)C(NC1CCCC1)c1cc(Br)ccc1F.
What is the InChIKey of ethyl 2-(5-bromo-2-fluorophenyl)-2-(cyclopentylamino)acetate?
The InChIKey is BRMVLIWZPRZLAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrFNO2/c1-2-20-15(19)14(18-11-5-3-4-6-11)12-9-10(16)7-8-13(12)17/h7-9,11,14,18H,2-6H2,1H3.
What are the key properties of ethyl 2-(5-bromo-2-fluorophenyl)-2-(cyclopentylamino)acetate?
ethyl 2-(5-bromo-2-fluorophenyl)-2-(cyclopentylamino)acetate has a molecular weight of 344.22 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(5-bromo-2-fluorophenyl)-2-(cyclopentylamino)acetate is sourced from PubChem (CID 60998047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).