4-fluoro-3-[(2-methylcyclopentyl)amino]benzoic acid

C13H16FNO2 — CID 65043893

IUPAC4-fluoro-3-[(2-methylcyclopentyl)amino]benzoic acid
SMILESCC1CCCC1Nc1cc(C(=O)O)ccc1F
InChIInChI=1S/C13H16FNO2/c1-8-3-2-4-11(8)15-12-7-9(13(16)17)5-6-10(12)14/h5-8,11,15H,2-4H2,1H3,(H,16,17)
InChIKeyCXZQUBTUGLIKID-UHFFFAOYSA-N
MW237.27 g/mol
LogP3.12
Rot. Bonds3

About 4-fluoro-3-[(2-methylcyclopentyl)amino]benzoic acid

4-fluoro-3-[(2-methylcyclopentyl)amino]benzoic acid (PubChem CID 65043893) has the molecular formula C13H16FNO2 and a molecular weight of 237.27 g/mol. Its IUPAC name is 4-fluoro-3-[(2-methylcyclopentyl)amino]benzoic acid.

Molecular Properties

Compound Name4-fluoro-3-[(2-methylcyclopentyl)amino]benzoic acid
PubChem CID65043893
Molecular FormulaC13H16FNO2
Molecular Weight237.27 g/mol
Exact Mass237.12
IUPAC Name4-fluoro-3-[(2-methylcyclopentyl)amino]benzoic acid
SMILESCC1CCCC1Nc1cc(C(=O)O)ccc1F
InChIInChI=1S/C13H16FNO2/c1-8-3-2-4-11(8)15-12-7-9(13(16)17)5-6-10(12)14/h5-8,11,15H,2-4H2,1H3,(H,16,17)
InChIKeyCXZQUBTUGLIKID-UHFFFAOYSA-N
XLogP3.12
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.27
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-fluoro-3-[(2-methylcyclohexyl)carbamoylamino]benzoic acid
CID 61190333
4-[(2,3-dimethylcyclohexyl)amino]-3-fluorobenzoic acid
CID 63510522
4-fluoro-3-[[(2-methylcyclopentyl)amino]methyl]benzoic acid
CID 107452900
N-[4-fluoro-3-[(2-methylcyclopentyl)amino]phenyl]acetamide
CID 65044597
2,5-difluoro-N-(2-methylcyclopentyl)aniline
CID 65046744
4-fluoro-3-[(2-methylcyclopentyl)sulfamoyl]benzoic acid
CID 63281293
2,4-difluoro-5-[(2-methylcyclopentyl)amino]benzoic acid
CID 65043851
2-fluoro-5-[(2-methylcyclopentyl)amino]benzoic acid
CID 65044578
4-fluoro-3-[(3-methylpiperidine-2-carbonyl)amino]benzoic acid
CID 107067490
3-fluoro-4-[(2-methylcyclopentyl)sulfamoyl]benzoic acid
CID 79187579
4-fluoro-3-[(4-propan-2-ylcycloheptyl)amino]benzoic acid
CID 65086823
4-fluoro-3-[(5-methyl-2-propan-2-ylcyclohexyl)amino]benzoic acid
CID 43728096

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-[(2-methylcyclopentyl)amino]benzoic acid?
The IUPAC name of 4-fluoro-3-[(2-methylcyclopentyl)amino]benzoic acid (CID 65043893) is 4-fluoro-3-[(2-methylcyclopentyl)amino]benzoic acid.
What is the SMILES notation for 4-fluoro-3-[(2-methylcyclopentyl)amino]benzoic acid?
The canonical SMILES for 4-fluoro-3-[(2-methylcyclopentyl)amino]benzoic acid is CC1CCCC1Nc1cc(C(=O)O)ccc1F.
What is the InChIKey of 4-fluoro-3-[(2-methylcyclopentyl)amino]benzoic acid?
The InChIKey is CXZQUBTUGLIKID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO2/c1-8-3-2-4-11(8)15-12-7-9(13(16)17)5-6-10(12)14/h5-8,11,15H,2-4H2,1H3,(H,16,17).
What are the key properties of 4-fluoro-3-[(2-methylcyclopentyl)amino]benzoic acid?
4-fluoro-3-[(2-methylcyclopentyl)amino]benzoic acid has a molecular weight of 237.27 g/mol, XLogP of 3.12, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-[(2-methylcyclopentyl)amino]benzoic acid is sourced from PubChem (CID 65043893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).