5-(cyclopentylamino)-2,4-difluorobenzoic acid

C12H13F2NO2 — CID 43737090

IUPAC5-(cyclopentylamino)-2,4-difluorobenzoic acid
SMILESO=C(O)c1cc(NC2CCCC2)c(F)cc1F
InChIInChI=1S/C12H13F2NO2/c13-9-6-10(14)11(5-8(9)12(16)17)15-7-3-1-2-4-7/h5-7,15H,1-4H2,(H,16,17)
InChIKeyFEIUWQJMEMZVKI-UHFFFAOYSA-N
MW241.24 g/mol
LogP3.02
Rot. Bonds3

About 5-(cyclopentylamino)-2,4-difluorobenzoic acid

5-(cyclopentylamino)-2,4-difluorobenzoic acid (PubChem CID 43737090) has the molecular formula C12H13F2NO2 and a molecular weight of 241.24 g/mol. Its IUPAC name is 5-(cyclopentylamino)-2,4-difluorobenzoic acid.

Molecular Properties

Compound Name5-(cyclopentylamino)-2,4-difluorobenzoic acid
PubChem CID43737090
Molecular FormulaC12H13F2NO2
Molecular Weight241.24 g/mol
Exact Mass241.09
IUPAC Name5-(cyclopentylamino)-2,4-difluorobenzoic acid
SMILESO=C(O)c1cc(NC2CCCC2)c(F)cc1F
InChIInChI=1S/C12H13F2NO2/c13-9-6-10(14)11(5-8(9)12(16)17)15-7-3-1-2-4-7/h5-7,15H,1-4H2,(H,16,17)
InChIKeyFEIUWQJMEMZVKI-UHFFFAOYSA-N
XLogP3.02
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.24
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-(cycloheptylamino)-2,4-difluorobenzoic acid
CID 43737089
5-(cyclohexylamino)-2,4-difluorobenzamide
CID 43673780
2-(cyclohexylamino)-4,5-difluorobenzoic acid
CID 82933532
5-[(3-aminocyclobutyl)amino]-2,4-difluorobenzoic acid
CID 80560599
5-[(2,6-dimethylcyclohexyl)amino]-2,4-difluorobenzoic acid
CID 43737100
2-(cyclopentylamino)-4-fluorobenzoic acid
CID 82933177
2,4-difluoro-5-[(2-methylcyclopentyl)amino]benzoic acid
CID 65043851
5-[(3-ethylcyclopentyl)amino]-2,4-difluorobenzoic acid
CID 64502134
5-(cyclopropylmethylamino)-2,4-difluorobenzoic acid
CID 43737180
5-(cyclobutylmethylcarbamoylamino)-2,4-difluorobenzoic acid
CID 61197047
3-N-cyclopentyl-4,6-difluorobenzene-1,3-diamine
CID 82933880
2,4-difluoro-5-[(3-methoxycyclohexyl)amino]benzamide
CID 106871627

Frequently Asked Questions

What is the IUPAC name of 5-(cyclopentylamino)-2,4-difluorobenzoic acid?
The IUPAC name of 5-(cyclopentylamino)-2,4-difluorobenzoic acid (CID 43737090) is 5-(cyclopentylamino)-2,4-difluorobenzoic acid.
What is the SMILES notation for 5-(cyclopentylamino)-2,4-difluorobenzoic acid?
The canonical SMILES for 5-(cyclopentylamino)-2,4-difluorobenzoic acid is O=C(O)c1cc(NC2CCCC2)c(F)cc1F.
What is the InChIKey of 5-(cyclopentylamino)-2,4-difluorobenzoic acid?
The InChIKey is FEIUWQJMEMZVKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2NO2/c13-9-6-10(14)11(5-8(9)12(16)17)15-7-3-1-2-4-7/h5-7,15H,1-4H2,(H,16,17).
What are the key properties of 5-(cyclopentylamino)-2,4-difluorobenzoic acid?
5-(cyclopentylamino)-2,4-difluorobenzoic acid has a molecular weight of 241.24 g/mol, XLogP of 3.02, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopentylamino)-2,4-difluorobenzoic acid is sourced from PubChem (CID 43737090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).