2-(3-cyclopentylpropylamino)-5-fluorobenzoic acid

C15H20FNO2 — CID 114136458

IUPAC2-(3-cyclopentylpropylamino)-5-fluorobenzoic acid
SMILESO=C(O)c1cc(F)ccc1NCCCC1CCCC1
InChIInChI=1S/C15H20FNO2/c16-12-7-8-14(13(10-12)15(18)19)17-9-3-6-11-4-1-2-5-11/h7-8,10-11,17H,1-6,9H2,(H,18,19)
InChIKeyCWFTWEPQIQBOLN-UHFFFAOYSA-N
MW265.33 g/mol
LogP3.91
Rot. Bonds6

About 2-(3-cyclopentylpropylamino)-5-fluorobenzoic acid

2-(3-cyclopentylpropylamino)-5-fluorobenzoic acid (PubChem CID 114136458) has the molecular formula C15H20FNO2 and a molecular weight of 265.33 g/mol. Its IUPAC name is 2-(3-cyclopentylpropylamino)-5-fluorobenzoic acid.

Molecular Properties

Compound Name2-(3-cyclopentylpropylamino)-5-fluorobenzoic acid
PubChem CID114136458
Molecular FormulaC15H20FNO2
Molecular Weight265.33 g/mol
Exact Mass265.15
IUPAC Name2-(3-cyclopentylpropylamino)-5-fluorobenzoic acid
SMILESO=C(O)c1cc(F)ccc1NCCCC1CCCC1
InChIInChI=1S/C15H20FNO2/c16-12-7-8-14(13(10-12)15(18)19)17-9-3-6-11-4-1-2-5-11/h7-8,10-11,17H,1-6,9H2,(H,18,19)
InChIKeyCWFTWEPQIQBOLN-UHFFFAOYSA-N
XLogP3.91
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-(cyclopropylmethoxy)ethylamino]-5-fluorobenzoic acid
CID 114098784
5-fluoro-2-(4-methylpentylamino)benzoic acid
CID 63672827
5-fluoro-2-(4-hydroxypentylamino)benzoic acid
CID 106137596
2-amino-6-(3-cyclopentylpropylamino)-3-fluorobenzoic acid
CID 106003908
2-(2,2-dimethylpropylamino)-5-fluorobenzoic acid
CID 63675024
N-(3-cyclopentylpropyl)-4-fluoro-2-hydroxybenzamide
CID 106011705
2-amino-N-(3-cyclopentylpropyl)-4-fluorobenzamide
CID 106006269
5-fluoro-2-(oxolan-2-ylmethylamino)benzoic acid
CID 63673824
5-fluoro-2-(2-propan-2-yloxyethylamino)benzoic acid
CID 104765923
5-fluoro-2-(prop-2-enylamino)benzoic acid
CID 63674508
5-fluoro-2-(prop-2-ynylamino)benzoic acid
CID 63674509
1-N-(3-cyclopentylpropyl)-3,5-difluorobenzene-1,2-diamine
CID 114136547

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclopentylpropylamino)-5-fluorobenzoic acid?
The IUPAC name of 2-(3-cyclopentylpropylamino)-5-fluorobenzoic acid (CID 114136458) is 2-(3-cyclopentylpropylamino)-5-fluorobenzoic acid.
What is the SMILES notation for 2-(3-cyclopentylpropylamino)-5-fluorobenzoic acid?
The canonical SMILES for 2-(3-cyclopentylpropylamino)-5-fluorobenzoic acid is O=C(O)c1cc(F)ccc1NCCCC1CCCC1.
What is the InChIKey of 2-(3-cyclopentylpropylamino)-5-fluorobenzoic acid?
The InChIKey is CWFTWEPQIQBOLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO2/c16-12-7-8-14(13(10-12)15(18)19)17-9-3-6-11-4-1-2-5-11/h7-8,10-11,17H,1-6,9H2,(H,18,19).
What are the key properties of 2-(3-cyclopentylpropylamino)-5-fluorobenzoic acid?
2-(3-cyclopentylpropylamino)-5-fluorobenzoic acid has a molecular weight of 265.33 g/mol, XLogP of 3.91, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclopentylpropylamino)-5-fluorobenzoic acid is sourced from PubChem (CID 114136458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).