[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 4-fluorobenzoate

C16H19FN2O4 — CID 2634322

IUPAC[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 4-fluorobenzoate
SMILESO=C(COC(=O)c1ccc(F)cc1)NC(=O)NC1CCCCC1
InChIInChI=1S/C16H19FN2O4/c17-12-8-6-11(7-9-12)15(21)23-10-14(20)19-16(22)18-13-4-2-1-3-5-13/h6-9,13H,1-5,10H2,(H2,18,19,20,22)
InChIKeyUGJIMOPQYOKXMY-UHFFFAOYSA-N
MW322.34 g/mol
LogP2.14
Rot. Bonds4

About [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 4-fluorobenzoate

[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 4-fluorobenzoate (PubChem CID 2634322) has the molecular formula C16H19FN2O4 and a molecular weight of 322.34 g/mol. Its IUPAC name is [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 4-fluorobenzoate.

Molecular Properties

Compound Name[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 4-fluorobenzoate
PubChem CID2634322
Molecular FormulaC16H19FN2O4
Molecular Weight322.34 g/mol
Exact Mass322.13
IUPAC Name[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 4-fluorobenzoate
SMILESO=C(COC(=O)c1ccc(F)cc1)NC(=O)NC1CCCCC1
InChIInChI=1S/C16H19FN2O4/c17-12-8-6-11(7-9-12)15(21)23-10-14(20)19-16(22)18-13-4-2-1-3-5-13/h6-9,13H,1-5,10H2,(H2,18,19,20,22)
InChIKeyUGJIMOPQYOKXMY-UHFFFAOYSA-N
XLogP2.14
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.34
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 4-propoxybenzoate
CID 7211666
[2-(cyclohexylcarbamoylamino)-2-oxoethyl] (E)-3-(4-fluorophenyl)prop-2-enoate
CID 8663810
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2,3-dihydro-1H-indene-5-carboxylate
CID 9010356
[2-(cyclooctylamino)-2-oxoethyl] 4-hydroxybenzoate
CID 2432953
[2-(cyclohexylamino)-2-oxoethyl] 4-(trifluoromethoxy)benzoate
CID 7796501
[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2,3-dimethyl-1H-indole-5-carboxylate
CID 9111860
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 5-chloro-2-fluorobenzoate
CID 8620254
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] pyridine-3-carboxylate
CID 9413621
[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 3,4,5-trimethoxybenzoate
CID 8013227
[2-(methylcarbamoylamino)-2-oxoethyl] 4-fluorobenzoate
CID 2627763
[2-(cycloheptylamino)-2-oxoethyl] 4-methoxybenzoate
CID 2376879
[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 5-bromo-2-fluorobenzoate
CID 8803511

Frequently Asked Questions

What is the IUPAC name of [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 4-fluorobenzoate?
The IUPAC name of [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 4-fluorobenzoate (CID 2634322) is [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 4-fluorobenzoate.
What is the SMILES notation for [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 4-fluorobenzoate?
The canonical SMILES for [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 4-fluorobenzoate is O=C(COC(=O)c1ccc(F)cc1)NC(=O)NC1CCCCC1.
What is the InChIKey of [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 4-fluorobenzoate?
The InChIKey is UGJIMOPQYOKXMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O4/c17-12-8-6-11(7-9-12)15(21)23-10-14(20)19-16(22)18-13-4-2-1-3-5-13/h6-9,13H,1-5,10H2,(H2,18,19,20,22).
What are the key properties of [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 4-fluorobenzoate?
[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 4-fluorobenzoate has a molecular weight of 322.34 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 4-fluorobenzoate is sourced from PubChem (CID 2634322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).