2,4-difluoro-5-[(2-methylcyclopentyl)amino]benzoic acid

C13H15F2NO2 — CID 65043851

IUPAC2,4-difluoro-5-[(2-methylcyclopentyl)amino]benzoic acid
SMILESCC1CCCC1Nc1cc(C(=O)O)c(F)cc1F
InChIInChI=1S/C13H15F2NO2/c1-7-3-2-4-11(7)16-12-5-8(13(17)18)9(14)6-10(12)15/h5-7,11,16H,2-4H2,1H3,(H,17,18)
InChIKeyAVSWZTBLBWWIDP-UHFFFAOYSA-N
MW255.26 g/mol
LogP3.26
Rot. Bonds3

About 2,4-difluoro-5-[(2-methylcyclopentyl)amino]benzoic acid

2,4-difluoro-5-[(2-methylcyclopentyl)amino]benzoic acid (PubChem CID 65043851) has the molecular formula C13H15F2NO2 and a molecular weight of 255.26 g/mol. Its IUPAC name is 2,4-difluoro-5-[(2-methylcyclopentyl)amino]benzoic acid.

Molecular Properties

Compound Name2,4-difluoro-5-[(2-methylcyclopentyl)amino]benzoic acid
PubChem CID65043851
Molecular FormulaC13H15F2NO2
Molecular Weight255.26 g/mol
Exact Mass255.11
IUPAC Name2,4-difluoro-5-[(2-methylcyclopentyl)amino]benzoic acid
SMILESCC1CCCC1Nc1cc(C(=O)O)c(F)cc1F
InChIInChI=1S/C13H15F2NO2/c1-7-3-2-4-11(7)16-12-5-8(13(17)18)9(14)6-10(12)15/h5-7,11,16H,2-4H2,1H3,(H,17,18)
InChIKeyAVSWZTBLBWWIDP-UHFFFAOYSA-N
XLogP3.26
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.26
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-[(2,6-dimethylcyclohexyl)amino]-2,4-difluorobenzoic acid
CID 43737100
2-fluoro-5-[(2-methylcyclopentyl)amino]benzoic acid
CID 65044578
5-[(2,3-dimethylcyclohexyl)amino]-2,4-difluorobenzamide
CID 64761802
4-fluoro-3-[(2-methylcyclopentyl)amino]benzoic acid
CID 65043893
5-(cyclopentylamino)-2,4-difluorobenzoic acid
CID 43737090
5-(cycloheptylamino)-2,4-difluorobenzoic acid
CID 43737089
2,4-difluoro-5-[(3-methylpiperidine-2-carbonyl)amino]benzoic acid
CID 107067256
2-methyl-3-[(2-methylcyclopentyl)amino]benzoic acid
CID 65043898
4-[(2,3-dimethylcyclohexyl)amino]-3-fluorobenzoic acid
CID 63510522
N-[4-fluoro-3-[(2-methylcyclopentyl)amino]phenyl]acetamide
CID 65044597
N-(2,3-dimethylcyclohexyl)-2,4,5-trifluoroaniline
CID 64760115
2-amino-4-fluoro-5-[(2-methoxycyclopentyl)amino]benzoic acid
CID 62089002

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-5-[(2-methylcyclopentyl)amino]benzoic acid?
The IUPAC name of 2,4-difluoro-5-[(2-methylcyclopentyl)amino]benzoic acid (CID 65043851) is 2,4-difluoro-5-[(2-methylcyclopentyl)amino]benzoic acid.
What is the SMILES notation for 2,4-difluoro-5-[(2-methylcyclopentyl)amino]benzoic acid?
The canonical SMILES for 2,4-difluoro-5-[(2-methylcyclopentyl)amino]benzoic acid is CC1CCCC1Nc1cc(C(=O)O)c(F)cc1F.
What is the InChIKey of 2,4-difluoro-5-[(2-methylcyclopentyl)amino]benzoic acid?
The InChIKey is AVSWZTBLBWWIDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2NO2/c1-7-3-2-4-11(7)16-12-5-8(13(17)18)9(14)6-10(12)15/h5-7,11,16H,2-4H2,1H3,(H,17,18).
What are the key properties of 2,4-difluoro-5-[(2-methylcyclopentyl)amino]benzoic acid?
2,4-difluoro-5-[(2-methylcyclopentyl)amino]benzoic acid has a molecular weight of 255.26 g/mol, XLogP of 3.26, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-5-[(2-methylcyclopentyl)amino]benzoic acid is sourced from PubChem (CID 65043851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).