[2-(cyclohexylamino)-2-oxoethyl] 3-fluoro-4-methoxybenzoate

C16H20FNO4 — CID 7522935

IUPAC[2-(cyclohexylamino)-2-oxoethyl] 3-fluoro-4-methoxybenzoate
SMILESCOc1ccc(C(=O)OCC(=O)NC2CCCCC2)cc1F
InChIInChI=1S/C16H20FNO4/c1-21-14-8-7-11(9-13(14)17)16(20)22-10-15(19)18-12-5-3-2-4-6-12/h7-9,12H,2-6,10H2,1H3,(H,18,19)
InChIKeyLZCNUYVQIKCVCF-UHFFFAOYSA-N
MW309.34 g/mol
LogP2.44
Rot. Bonds5

About [2-(cyclohexylamino)-2-oxoethyl] 3-fluoro-4-methoxybenzoate

[2-(cyclohexylamino)-2-oxoethyl] 3-fluoro-4-methoxybenzoate (PubChem CID 7522935) has the molecular formula C16H20FNO4 and a molecular weight of 309.34 g/mol. Its IUPAC name is [2-(cyclohexylamino)-2-oxoethyl] 3-fluoro-4-methoxybenzoate.

Molecular Properties

Compound Name[2-(cyclohexylamino)-2-oxoethyl] 3-fluoro-4-methoxybenzoate
PubChem CID7522935
Molecular FormulaC16H20FNO4
Molecular Weight309.34 g/mol
Exact Mass309.14
IUPAC Name[2-(cyclohexylamino)-2-oxoethyl] 3-fluoro-4-methoxybenzoate
SMILESCOc1ccc(C(=O)OCC(=O)NC2CCCCC2)cc1F
InChIInChI=1S/C16H20FNO4/c1-21-14-8-7-11(9-13(14)17)16(20)22-10-15(19)18-12-5-3-2-4-6-12/h7-9,12H,2-6,10H2,1H3,(H,18,19)
InChIKeyLZCNUYVQIKCVCF-UHFFFAOYSA-N
XLogP2.44
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.34
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] 3-fluoro-4-methoxybenzoate
CID 7991607
[2-(cyclopentylamino)-2-oxoethyl] 4-(difluoromethoxy)-3-methoxybenzoate
CID 2607084
[2-(cyclopentylamino)-2-oxoethyl] 4-amino-3-fluorobenzoate
CID 62680450
[2-[[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl] 3-fluoro-4-methoxybenzoate
CID 8540784
[2-(cycloheptylamino)-2-oxoethyl] 4-methoxybenzoate
CID 2376879
[2-(cyclopropylamino)-2-oxoethyl] 3-methoxy-4-propoxybenzoate
CID 2600322
[2-(cycloheptylamino)-2-oxoethyl] 3,4-dichlorobenzoate
CID 2430435
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 3-ethoxy-4-methoxybenzoate
CID 7558614
[2-(cyclooctylamino)-2-oxoethyl] 2,3,4-trimethoxybenzoate
CID 23876696
[2-(cyclopentylamino)-2-oxoethyl] 5-amino-2-methoxybenzoate
CID 61321950
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 4-(difluoromethoxy)-3-methoxybenzoate
CID 7213773
[2-(cyclooctylamino)-2-oxoethyl] 4-hydroxybenzoate
CID 2432953

Frequently Asked Questions

What is the IUPAC name of [2-(cyclohexylamino)-2-oxoethyl] 3-fluoro-4-methoxybenzoate?
The IUPAC name of [2-(cyclohexylamino)-2-oxoethyl] 3-fluoro-4-methoxybenzoate (CID 7522935) is [2-(cyclohexylamino)-2-oxoethyl] 3-fluoro-4-methoxybenzoate.
What is the SMILES notation for [2-(cyclohexylamino)-2-oxoethyl] 3-fluoro-4-methoxybenzoate?
The canonical SMILES for [2-(cyclohexylamino)-2-oxoethyl] 3-fluoro-4-methoxybenzoate is COc1ccc(C(=O)OCC(=O)NC2CCCCC2)cc1F.
What is the InChIKey of [2-(cyclohexylamino)-2-oxoethyl] 3-fluoro-4-methoxybenzoate?
The InChIKey is LZCNUYVQIKCVCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FNO4/c1-21-14-8-7-11(9-13(14)17)16(20)22-10-15(19)18-12-5-3-2-4-6-12/h7-9,12H,2-6,10H2,1H3,(H,18,19).
What are the key properties of [2-(cyclohexylamino)-2-oxoethyl] 3-fluoro-4-methoxybenzoate?
[2-(cyclohexylamino)-2-oxoethyl] 3-fluoro-4-methoxybenzoate has a molecular weight of 309.34 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclohexylamino)-2-oxoethyl] 3-fluoro-4-methoxybenzoate is sourced from PubChem (CID 7522935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).