4-[2-[cyclopentyl(methyl)amino]ethylamino]-2,3-difluorobenzoic acid

C15H20F2N2O2 — CID 79834906

IUPAC4-[2-[cyclopentyl(methyl)amino]ethylamino]-2,3-difluorobenzoic acid
SMILESCN(CCNc1ccc(C(=O)O)c(F)c1F)C1CCCC1
InChIInChI=1S/C15H20F2N2O2/c1-19(10-4-2-3-5-10)9-8-18-12-7-6-11(15(20)21)13(16)14(12)17/h6-7,10,18H,2-5,8-9H2,1H3,(H,20,21)
InChIKeyDANXHMQWBQCMGN-UHFFFAOYSA-N
MW298.33 g/mol
LogP2.95
Rot. Bonds6

About 4-[2-[cyclopentyl(methyl)amino]ethylamino]-2,3-difluorobenzoic acid

4-[2-[cyclopentyl(methyl)amino]ethylamino]-2,3-difluorobenzoic acid (PubChem CID 79834906) has the molecular formula C15H20F2N2O2 and a molecular weight of 298.33 g/mol. Its IUPAC name is 4-[2-[cyclopentyl(methyl)amino]ethylamino]-2,3-difluorobenzoic acid.

Molecular Properties

Compound Name4-[2-[cyclopentyl(methyl)amino]ethylamino]-2,3-difluorobenzoic acid
PubChem CID79834906
Molecular FormulaC15H20F2N2O2
Molecular Weight298.33 g/mol
Exact Mass298.15
IUPAC Name4-[2-[cyclopentyl(methyl)amino]ethylamino]-2,3-difluorobenzoic acid
SMILESCN(CCNc1ccc(C(=O)O)c(F)c1F)C1CCCC1
InChIInChI=1S/C15H20F2N2O2/c1-19(10-4-2-3-5-10)9-8-18-12-7-6-11(15(20)21)13(16)14(12)17/h6-7,10,18H,2-5,8-9H2,1H3,(H,20,21)
InChIKeyDANXHMQWBQCMGN-UHFFFAOYSA-N
XLogP2.95
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.33
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-cyclopentyloxyethylamino)-2,3-difluorobenzoic acid
CID 79840391
2-amino-5-[2-[cyclopropyl(methyl)amino]ethylamino]-4-fluorobenzoic acid
CID 62978741
2,3-difluoro-4-[(2-methylcyclopentyl)methylamino]benzoic acid
CID 107419155
2,3-difluoro-4-[[2-(hydroxymethyl)cyclohexyl]methylamino]benzoic acid
CID 79835103
N'-cyclopentyl-N-(2-fluorophenyl)-N'-methylethane-1,2-diamine
CID 55085570
2,3-difluoro-4-(2-methoxyethylamino)benzoic acid
CID 79837878
2-[2-[cyclopentyl(methyl)amino]ethylamino]-4-methylpyrimidine-5-carboxylic acid
CID 83181981
4-[(3-amino-3-oxopropyl)amino]-2,3-difluorobenzoic acid
CID 79837698
4-[(1-cyclopropylcyclopropyl)methylamino]-2,3-difluorobenzoic acid
CID 114096481
2,3-difluoro-4-(3-propoxypropylamino)benzoic acid
CID 82944096
3-amino-4-[2-[cyclopentyl(methyl)amino]ethylamino]benzamide
CID 63314897
4-[(1-ethylpyrrolidin-2-yl)methylamino]-2,3-difluorobenzoic acid
CID 79837693

Frequently Asked Questions

What is the IUPAC name of 4-[2-[cyclopentyl(methyl)amino]ethylamino]-2,3-difluorobenzoic acid?
The IUPAC name of 4-[2-[cyclopentyl(methyl)amino]ethylamino]-2,3-difluorobenzoic acid (CID 79834906) is 4-[2-[cyclopentyl(methyl)amino]ethylamino]-2,3-difluorobenzoic acid.
What is the SMILES notation for 4-[2-[cyclopentyl(methyl)amino]ethylamino]-2,3-difluorobenzoic acid?
The canonical SMILES for 4-[2-[cyclopentyl(methyl)amino]ethylamino]-2,3-difluorobenzoic acid is CN(CCNc1ccc(C(=O)O)c(F)c1F)C1CCCC1.
What is the InChIKey of 4-[2-[cyclopentyl(methyl)amino]ethylamino]-2,3-difluorobenzoic acid?
The InChIKey is DANXHMQWBQCMGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2O2/c1-19(10-4-2-3-5-10)9-8-18-12-7-6-11(15(20)21)13(16)14(12)17/h6-7,10,18H,2-5,8-9H2,1H3,(H,20,21).
What are the key properties of 4-[2-[cyclopentyl(methyl)amino]ethylamino]-2,3-difluorobenzoic acid?
4-[2-[cyclopentyl(methyl)amino]ethylamino]-2,3-difluorobenzoic acid has a molecular weight of 298.33 g/mol, XLogP of 2.95, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[cyclopentyl(methyl)amino]ethylamino]-2,3-difluorobenzoic acid is sourced from PubChem (CID 79834906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).