2-(4-bromo-3-fluorophenyl)-2-(cyclopentylamino)acetic acid

C13H15BrFNO2 — CID 81437595

IUPAC2-(4-bromo-3-fluorophenyl)-2-(cyclopentylamino)acetic acid
SMILESO=C(O)C(NC1CCCC1)c1ccc(Br)c(F)c1
InChIInChI=1S/C13H15BrFNO2/c14-10-6-5-8(7-11(10)15)12(13(17)18)16-9-3-1-2-4-9/h5-7,9,12,16H,1-4H2,(H,17,18)
InChIKeyDASORYPEJTUTJF-UHFFFAOYSA-N
MW316.17 g/mol
LogP3.25
Rot. Bonds4

About 2-(4-bromo-3-fluorophenyl)-2-(cyclopentylamino)acetic acid

2-(4-bromo-3-fluorophenyl)-2-(cyclopentylamino)acetic acid (PubChem CID 81437595) has the molecular formula C13H15BrFNO2 and a molecular weight of 316.17 g/mol. Its IUPAC name is 2-(4-bromo-3-fluorophenyl)-2-(cyclopentylamino)acetic acid.

Molecular Properties

Compound Name2-(4-bromo-3-fluorophenyl)-2-(cyclopentylamino)acetic acid
PubChem CID81437595
Molecular FormulaC13H15BrFNO2
Molecular Weight316.17 g/mol
Exact Mass315.03
IUPAC Name2-(4-bromo-3-fluorophenyl)-2-(cyclopentylamino)acetic acid
SMILESO=C(O)C(NC1CCCC1)c1ccc(Br)c(F)c1
InChIInChI=1S/C13H15BrFNO2/c14-10-6-5-8(7-11(10)15)12(13(17)18)16-9-3-1-2-4-9/h5-7,9,12,16H,1-4H2,(H,17,18)
InChIKeyDASORYPEJTUTJF-UHFFFAOYSA-N
XLogP3.25
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.17
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(cyclopentylamino)-2-(3,4-difluorophenyl)acetic acid
CID 54894138
ethyl 2-(4-bromo-3-fluorophenyl)-2-(cyclohexylamino)acetate
CID 81431210
2-(cyclopentylamino)-2-(3,4,5-trifluorophenyl)acetic acid
CID 55148711
2-(3-chloro-4-fluorophenyl)-2-(cyclopentylamino)acetic acid
CID 81146022
2-(cycloheptylamino)-2-(3-fluoro-4-methoxyphenyl)acetic acid
CID 65096305
2-(4-chlorophenyl)-2-(cyclopentylamino)acetic acid
CID 54894372
2-(3,4-difluorophenyl)-2-[(4-hydroxycyclohexyl)amino]acetic acid
CID 84746728
(2R)-2-(4-bromo-3-fluorophenyl)-2-cyclobutylacetic acid
CID 125466620
2-(cyclohexylamino)-2-(2,4-difluorophenyl)acetic acid
CID 54892642
2-(5-chloro-2-fluorophenyl)-2-(cycloheptylamino)acetic acid
CID 114843747
2-(3-chloro-4-methylphenyl)-2-(cyclopentylamino)acetic acid
CID 106817713
2-(cyclopentylamino)-2-[3-(trifluoromethyl)phenyl]acetic acid
CID 60997313

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3-fluorophenyl)-2-(cyclopentylamino)acetic acid?
The IUPAC name of 2-(4-bromo-3-fluorophenyl)-2-(cyclopentylamino)acetic acid (CID 81437595) is 2-(4-bromo-3-fluorophenyl)-2-(cyclopentylamino)acetic acid.
What is the SMILES notation for 2-(4-bromo-3-fluorophenyl)-2-(cyclopentylamino)acetic acid?
The canonical SMILES for 2-(4-bromo-3-fluorophenyl)-2-(cyclopentylamino)acetic acid is O=C(O)C(NC1CCCC1)c1ccc(Br)c(F)c1.
What is the InChIKey of 2-(4-bromo-3-fluorophenyl)-2-(cyclopentylamino)acetic acid?
The InChIKey is DASORYPEJTUTJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrFNO2/c14-10-6-5-8(7-11(10)15)12(13(17)18)16-9-3-1-2-4-9/h5-7,9,12,16H,1-4H2,(H,17,18).
What are the key properties of 2-(4-bromo-3-fluorophenyl)-2-(cyclopentylamino)acetic acid?
2-(4-bromo-3-fluorophenyl)-2-(cyclopentylamino)acetic acid has a molecular weight of 316.17 g/mol, XLogP of 3.25, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3-fluorophenyl)-2-(cyclopentylamino)acetic acid is sourced from PubChem (CID 81437595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).