4-[(1-ethylcyclopentyl)methylamino]-2-fluorobenzoic acid

C15H20FNO2 — CID 114126371

IUPAC4-[(1-ethylcyclopentyl)methylamino]-2-fluorobenzoic acid
SMILESCCC1(CNc2ccc(C(=O)O)c(F)c2)CCCC1
InChIInChI=1S/C15H20FNO2/c1-2-15(7-3-4-8-15)10-17-11-5-6-12(14(18)19)13(16)9-11/h5-6,9,17H,2-4,7-8,10H2,1H3,(H,18,19)
InChIKeyRRAQQBNMWUTZGJ-UHFFFAOYSA-N
MW265.33 g/mol
LogP3.91
Rot. Bonds5

About 4-[(1-ethylcyclopentyl)methylamino]-2-fluorobenzoic acid

4-[(1-ethylcyclopentyl)methylamino]-2-fluorobenzoic acid (PubChem CID 114126371) has the molecular formula C15H20FNO2 and a molecular weight of 265.33 g/mol. Its IUPAC name is 4-[(1-ethylcyclopentyl)methylamino]-2-fluorobenzoic acid.

Molecular Properties

Compound Name4-[(1-ethylcyclopentyl)methylamino]-2-fluorobenzoic acid
PubChem CID114126371
Molecular FormulaC15H20FNO2
Molecular Weight265.33 g/mol
Exact Mass265.15
IUPAC Name4-[(1-ethylcyclopentyl)methylamino]-2-fluorobenzoic acid
SMILESCCC1(CNc2ccc(C(=O)O)c(F)c2)CCCC1
InChIInChI=1S/C15H20FNO2/c1-2-15(7-3-4-8-15)10-17-11-5-6-12(14(18)19)13(16)9-11/h5-6,9,17H,2-4,7-8,10H2,1H3,(H,18,19)
InChIKeyRRAQQBNMWUTZGJ-UHFFFAOYSA-N
XLogP3.91
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
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

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Related Compounds

4-[(1-ethylcyclopentanecarbonyl)amino]-2-fluorobenzoic acid
CID 103925771
2-fluoro-4-(pentylamino)benzoic acid
CID 115485129
4-[(1-ethylcyclobutyl)methylamino]-3-fluorobenzoic acid
CID 114109711
2-fluoro-4-(hexylamino)benzoic acid
CID 115485484
4-(tert-butylamino)-2-fluorobenzoic acid
CID 66789371
4-bromo-N-[(1-ethylcyclobutyl)methyl]-2-fluorobenzamide
CID 103741352
4-[[1-(hydroxymethyl)cyclopropyl]methylamino]-2-methylbenzoic acid
CID 115455537
2-amino-5-[(1-ethylcyclopropyl)methylamino]-4-fluorobenzoic acid
CID 114101743
2-fluoro-4-(2-methylprop-2-enylamino)benzoic acid
CID 114619128
2-methyl-4-[(1-methylcyclopentyl)methylamino]benzoic acid
CID 81281566
2-fluoro-4-(3-methylbut-2-enylamino)benzoic acid
CID 106197924
2-fluoro-4-(3-hydroxybutylamino)benzoic acid
CID 115485505

Frequently Asked Questions

What is the IUPAC name of 4-[(1-ethylcyclopentyl)methylamino]-2-fluorobenzoic acid?
The IUPAC name of 4-[(1-ethylcyclopentyl)methylamino]-2-fluorobenzoic acid (CID 114126371) is 4-[(1-ethylcyclopentyl)methylamino]-2-fluorobenzoic acid.
What is the SMILES notation for 4-[(1-ethylcyclopentyl)methylamino]-2-fluorobenzoic acid?
The canonical SMILES for 4-[(1-ethylcyclopentyl)methylamino]-2-fluorobenzoic acid is CCC1(CNc2ccc(C(=O)O)c(F)c2)CCCC1.
What is the InChIKey of 4-[(1-ethylcyclopentyl)methylamino]-2-fluorobenzoic acid?
The InChIKey is RRAQQBNMWUTZGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO2/c1-2-15(7-3-4-8-15)10-17-11-5-6-12(14(18)19)13(16)9-11/h5-6,9,17H,2-4,7-8,10H2,1H3,(H,18,19).
What are the key properties of 4-[(1-ethylcyclopentyl)methylamino]-2-fluorobenzoic acid?
4-[(1-ethylcyclopentyl)methylamino]-2-fluorobenzoic acid has a molecular weight of 265.33 g/mol, XLogP of 3.91, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-ethylcyclopentyl)methylamino]-2-fluorobenzoic acid is sourced from PubChem (CID 114126371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).