(cyclohexylamino) 2-fluorobenzoate

C13H16FNO2 — CID 144857629

IUPAC(cyclohexylamino) 2-fluorobenzoate
SMILESO=C(ONC1CCCCC1)c1ccccc1F
InChIInChI=1S/C13H16FNO2/c14-12-9-5-4-8-11(12)13(16)17-15-10-6-2-1-3-7-10/h4-5,8-10,15H,1-3,6-7H2
InChIKeyPNTGVHYDQDIPTA-UHFFFAOYSA-N
MW237.27 g/mol
LogP2.82
Rot. Bonds3

About (cyclohexylamino) 2-fluorobenzoate

(cyclohexylamino) 2-fluorobenzoate (PubChem CID 144857629) has the molecular formula C13H16FNO2 and a molecular weight of 237.27 g/mol. Its IUPAC name is (cyclohexylamino) 2-fluorobenzoate.

Molecular Properties

Compound Name(cyclohexylamino) 2-fluorobenzoate
PubChem CID144857629
Molecular FormulaC13H16FNO2
Molecular Weight237.27 g/mol
Exact Mass237.12
IUPAC Name(cyclohexylamino) 2-fluorobenzoate
SMILESO=C(ONC1CCCCC1)c1ccccc1F
InChIInChI=1S/C13H16FNO2/c14-12-9-5-4-8-11(12)13(16)17-15-10-6-2-1-3-7-10/h4-5,8-10,15H,1-3,6-7H2
InChIKeyPNTGVHYDQDIPTA-UHFFFAOYSA-N
XLogP2.82
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.27
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[2-(2-fluorobenzoyl)oxycyclohexyl] 2-fluorobenzoate
CID 45155689
[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-fluorobenzoate
CID 7508641
N-(cyclohexylcarbamothioyl)-2-fluorobenzamide
CID 4950383
fluoro 2-cyclohexyl-3-fluorobenzoate
CID 174798429
2-amino-N-cyclohexyl-3-fluorobenzamide
CID 55099758
CID 122385782
CID 122385782
2-cyclopentyloxy-1-(2-fluorophenyl)ethanone
CID 43799397
(cyclohexylamino) 3-nitrobenzoate
CID 87667108
[2-[cyclohexyl(methyl)amino]-2-oxoethyl] 2-fluorobenzoate
CID 23931327
N-cycloheptyl-1-(2-fluorobenzoyl)piperidine-4-carboxamide
CID 17019024
1-cycloheptyl-3-(2,6-difluorophenyl)urea
CID 47132653
bromo 2-fluorobenzoate
CID 68843510

Frequently Asked Questions

What is the IUPAC name of (cyclohexylamino) 2-fluorobenzoate?
The IUPAC name of (cyclohexylamino) 2-fluorobenzoate (CID 144857629) is (cyclohexylamino) 2-fluorobenzoate.
What is the SMILES notation for (cyclohexylamino) 2-fluorobenzoate?
The canonical SMILES for (cyclohexylamino) 2-fluorobenzoate is O=C(ONC1CCCCC1)c1ccccc1F.
What is the InChIKey of (cyclohexylamino) 2-fluorobenzoate?
The InChIKey is PNTGVHYDQDIPTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO2/c14-12-9-5-4-8-11(12)13(16)17-15-10-6-2-1-3-7-10/h4-5,8-10,15H,1-3,6-7H2.
What are the key properties of (cyclohexylamino) 2-fluorobenzoate?
(cyclohexylamino) 2-fluorobenzoate has a molecular weight of 237.27 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (cyclohexylamino) 2-fluorobenzoate is sourced from PubChem (CID 144857629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).