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

C13H15ClFNO2 — CID 81146022

IUPAC2-(3-chloro-4-fluorophenyl)-2-(cyclopentylamino)acetic acid
SMILESO=C(O)C(NC1CCCC1)c1ccc(F)c(Cl)c1
InChIInChI=1S/C13H15ClFNO2/c14-10-7-8(5-6-11(10)15)12(13(17)18)16-9-3-1-2-4-9/h5-7,9,12,16H,1-4H2,(H,17,18)
InChIKeyBFIQMBKEFUKWOO-UHFFFAOYSA-N
MW271.72 g/mol
LogP3.14
Rot. Bonds4

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

2-(3-chloro-4-fluorophenyl)-2-(cyclopentylamino)acetic acid (PubChem CID 81146022) has the molecular formula C13H15ClFNO2 and a molecular weight of 271.72 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenyl)-2-(cyclopentylamino)acetic acid.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenyl)-2-(cyclopentylamino)acetic acid
PubChem CID81146022
Molecular FormulaC13H15ClFNO2
Molecular Weight271.72 g/mol
Exact Mass271.08
IUPAC Name2-(3-chloro-4-fluorophenyl)-2-(cyclopentylamino)acetic acid
SMILESO=C(O)C(NC1CCCC1)c1ccc(F)c(Cl)c1
InChIInChI=1S/C13H15ClFNO2/c14-10-7-8(5-6-11(10)15)12(13(17)18)16-9-3-1-2-4-9/h5-7,9,12,16H,1-4H2,(H,17,18)
InChIKeyBFIQMBKEFUKWOO-UHFFFAOYSA-N
XLogP3.14
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.72
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(3-chloro-4-fluorophenyl)-2-(cyclopentylamino)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(cyclopentylamino)-2-(3,4-difluorophenyl)acetic acid
CID 54894138
methyl 2-(3-chloro-4-fluorophenyl)-2-(cyclopentylamino)acetate
CID 81146135
2-(4-chlorophenyl)-2-(cyclopentylamino)acetic acid
CID 54894372
2-(3-chloro-4-methylphenyl)-2-(cyclopentylamino)acetic acid
CID 106817713
ethyl 2-(3-chloro-4-fluorophenyl)-2-(cyclopentylamino)acetate
CID 81146254
2-(5-chloro-2-fluorophenyl)-2-(cycloheptylamino)acetic acid
CID 114843747
2-(4-bromo-3-fluorophenyl)-2-(cyclopentylamino)acetic acid
CID 81437595
2-(cyclopentylamino)-2-(3,4,5-trifluorophenyl)acetic acid
CID 55148711
2-(cyclohexylamino)-2-(3,5-dichlorophenyl)acetic acid
CID 54893022
ethyl 2-(3-chloro-4-fluorophenyl)-2-(cyclopropylamino)acetate
CID 81146015
2-(cycloheptylamino)-2-(3-fluoro-4-methoxyphenyl)acetic acid
CID 65096305
2-(3,4-difluorophenyl)-2-[(4-hydroxycyclohexyl)amino]acetic acid
CID 84746728

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenyl)-2-(cyclopentylamino)acetic acid?
The IUPAC name of 2-(3-chloro-4-fluorophenyl)-2-(cyclopentylamino)acetic acid (CID 81146022) is 2-(3-chloro-4-fluorophenyl)-2-(cyclopentylamino)acetic acid.
What is the SMILES notation for 2-(3-chloro-4-fluorophenyl)-2-(cyclopentylamino)acetic acid?
The canonical SMILES for 2-(3-chloro-4-fluorophenyl)-2-(cyclopentylamino)acetic acid is O=C(O)C(NC1CCCC1)c1ccc(F)c(Cl)c1.
What is the InChIKey of 2-(3-chloro-4-fluorophenyl)-2-(cyclopentylamino)acetic acid?
The InChIKey is BFIQMBKEFUKWOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClFNO2/c14-10-7-8(5-6-11(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-(3-chloro-4-fluorophenyl)-2-(cyclopentylamino)acetic acid?
2-(3-chloro-4-fluorophenyl)-2-(cyclopentylamino)acetic acid has a molecular weight of 271.72 g/mol, XLogP of 3.14, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenyl)-2-(cyclopentylamino)acetic acid is sourced from PubChem (CID 81146022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).