4-[(4-ethylcyclohexyl)amino]-2-fluorobenzoic acid

C15H20FNO2 — CID 113319767

IUPAC4-[(4-ethylcyclohexyl)amino]-2-fluorobenzoic acid
SMILESCCC1CCC(Nc2ccc(C(=O)O)c(F)c2)CC1
InChIInChI=1S/C15H20FNO2/c1-2-10-3-5-11(6-4-10)17-12-7-8-13(15(18)19)14(16)9-12/h7-11,17H,2-6H2,1H3,(H,18,19)
InChIKeyBNSGSBNRAAYCRT-UHFFFAOYSA-N
MW265.33 g/mol
LogP3.90
Rot. Bonds4

About 4-[(4-ethylcyclohexyl)amino]-2-fluorobenzoic acid

4-[(4-ethylcyclohexyl)amino]-2-fluorobenzoic acid (PubChem CID 113319767) has the molecular formula C15H20FNO2 and a molecular weight of 265.33 g/mol. Its IUPAC name is 4-[(4-ethylcyclohexyl)amino]-2-fluorobenzoic acid.

Molecular Properties

Compound Name4-[(4-ethylcyclohexyl)amino]-2-fluorobenzoic acid
PubChem CID113319767
Molecular FormulaC15H20FNO2
Molecular Weight265.33 g/mol
Exact Mass265.15
IUPAC Name4-[(4-ethylcyclohexyl)amino]-2-fluorobenzoic acid
SMILESCCC1CCC(Nc2ccc(C(=O)O)c(F)c2)CC1
InChIInChI=1S/C15H20FNO2/c1-2-10-3-5-11(6-4-10)17-12-7-8-13(15(18)19)14(16)9-12/h7-11,17H,2-6H2,1H3,(H,18,19)
InChIKeyBNSGSBNRAAYCRT-UHFFFAOYSA-N
XLogP3.90
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-4-[(4-propylcyclohexyl)amino]benzoic acid
CID 115485237
4-[(3,4-dimethylcyclohexyl)amino]-2-fluorobenzoic acid
CID 115485504
2-fluoro-4-[(1-methylpiperidin-3-yl)amino]benzoic acid
CID 113319762
5-[(4-ethylcycloheptyl)amino]-2-fluorobenzamide
CID 65084046
4-(1-cyclopropylbutan-2-ylamino)-2-fluorobenzoic acid
CID 115485480
5-[(3-ethylcyclopentyl)amino]-2,4-difluorobenzoic acid
CID 64502134
2-fluoro-5-[(4-hydroxycyclohexyl)amino]benzoic acid
CID 82539355
4-(cyclopropylmethylcarbamoylamino)-2-fluorobenzoic acid
CID 107795723
2-fluoro-4-[(2,2,3,3-tetramethylcyclopropyl)amino]benzoic acid
CID 115485537
4-ethyl-N-(3,4,5-trifluorophenyl)cycloheptan-1-amine
CID 65083616
2-fluoro-4-[(3-hydroxycyclopentyl)methylamino]benzoic acid
CID 106137573
methyl N-[4-[(4-ethylcyclohexyl)amino]phenyl]carbamate
CID 43730246

Frequently Asked Questions

What is the IUPAC name of 4-[(4-ethylcyclohexyl)amino]-2-fluorobenzoic acid?
The IUPAC name of 4-[(4-ethylcyclohexyl)amino]-2-fluorobenzoic acid (CID 113319767) is 4-[(4-ethylcyclohexyl)amino]-2-fluorobenzoic acid.
What is the SMILES notation for 4-[(4-ethylcyclohexyl)amino]-2-fluorobenzoic acid?
The canonical SMILES for 4-[(4-ethylcyclohexyl)amino]-2-fluorobenzoic acid is CCC1CCC(Nc2ccc(C(=O)O)c(F)c2)CC1.
What is the InChIKey of 4-[(4-ethylcyclohexyl)amino]-2-fluorobenzoic acid?
The InChIKey is BNSGSBNRAAYCRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO2/c1-2-10-3-5-11(6-4-10)17-12-7-8-13(15(18)19)14(16)9-12/h7-11,17H,2-6H2,1H3,(H,18,19).
What are the key properties of 4-[(4-ethylcyclohexyl)amino]-2-fluorobenzoic acid?
4-[(4-ethylcyclohexyl)amino]-2-fluorobenzoic acid has a molecular weight of 265.33 g/mol, XLogP of 3.90, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-ethylcyclohexyl)amino]-2-fluorobenzoic acid is sourced from PubChem (CID 113319767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).