[2-[cyclohexyl(methyl)amino]-2-oxoethyl] 2-fluorobenzoate

C16H20FNO3 — CID 23931327

IUPAC[2-[cyclohexyl(methyl)amino]-2-oxoethyl] 2-fluorobenzoate
SMILESCN(C(=O)COC(=O)c1ccccc1F)C1CCCCC1
InChIInChI=1S/C16H20FNO3/c1-18(12-7-3-2-4-8-12)15(19)11-21-16(20)13-9-5-6-10-14(13)17/h5-6,9-10,12H,2-4,7-8,11H2,1H3
InChIKeyNQTKUSCBNAODLO-UHFFFAOYSA-N
MW293.34 g/mol
LogP2.77
Rot. Bonds4

About [2-[cyclohexyl(methyl)amino]-2-oxoethyl] 2-fluorobenzoate

[2-[cyclohexyl(methyl)amino]-2-oxoethyl] 2-fluorobenzoate (PubChem CID 23931327) has the molecular formula C16H20FNO3 and a molecular weight of 293.34 g/mol. Its IUPAC name is [2-[cyclohexyl(methyl)amino]-2-oxoethyl] 2-fluorobenzoate.

Molecular Properties

Compound Name[2-[cyclohexyl(methyl)amino]-2-oxoethyl] 2-fluorobenzoate
PubChem CID23931327
Molecular FormulaC16H20FNO3
Molecular Weight293.34 g/mol
Exact Mass293.14
IUPAC Name[2-[cyclohexyl(methyl)amino]-2-oxoethyl] 2-fluorobenzoate
SMILESCN(C(=O)COC(=O)c1ccccc1F)C1CCCCC1
InChIInChI=1S/C16H20FNO3/c1-18(12-7-3-2-4-8-12)15(19)11-21-16(20)13-9-5-6-10-14(13)17/h5-6,9-10,12H,2-4,7-8,11H2,1H3
InChIKeyNQTKUSCBNAODLO-UHFFFAOYSA-N
XLogP2.77
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[cyclohexyl(methyl)amino]-2-oxoethyl] 2-iodobenzoate
CID 71823696
[2-[cyclohexyl(methyl)amino]-2-oxoethyl] 4-(2-oxo-2-phenylacetyl)benzoate
CID 7043290
[2-[cyclohexyl-[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 2-fluorobenzoate
CID 7873265
[2-[cyclohexyl(methyl)amino]-2-oxoethyl] 4-formylbenzoate
CID 23768227
[2-[cyclopropyl(methyl)amino]-2-oxoethyl] 3-amino-2-chlorobenzoate
CID 112580307
2-[2-[cyclohexyl(methyl)amino]-2-oxoethoxy]benzoic acid
CID 43214278
[2-[cyclohexyl(methyl)amino]-2-oxoethyl] 2-[(2-chlorobenzoyl)amino]-4,5-dimethoxybenzoate
CID 42980409
[2-[cyclohexyl(methyl)amino]-2-oxoethyl] 2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzoate
CID 16607063
[2-[cyclohexyl(methyl)amino]-2-oxoethyl] (2S)-2-[(2-chlorobenzoyl)amino]propanoate
CID 7570623
[2-[cyclohexyl(methyl)amino]-2-oxoethyl] 4-[methyl(phenyl)sulfamoyl]benzoate
CID 2599059
[2-[cyclohexyl(methyl)amino]-2-oxoethyl] 2-methoxy-5-sulfamoylbenzoate
CID 7468062
[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanylbenzoate
CID 41030535

Frequently Asked Questions

What is the IUPAC name of [2-[cyclohexyl(methyl)amino]-2-oxoethyl] 2-fluorobenzoate?
The IUPAC name of [2-[cyclohexyl(methyl)amino]-2-oxoethyl] 2-fluorobenzoate (CID 23931327) is [2-[cyclohexyl(methyl)amino]-2-oxoethyl] 2-fluorobenzoate.
What is the SMILES notation for [2-[cyclohexyl(methyl)amino]-2-oxoethyl] 2-fluorobenzoate?
The canonical SMILES for [2-[cyclohexyl(methyl)amino]-2-oxoethyl] 2-fluorobenzoate is CN(C(=O)COC(=O)c1ccccc1F)C1CCCCC1.
What is the InChIKey of [2-[cyclohexyl(methyl)amino]-2-oxoethyl] 2-fluorobenzoate?
The InChIKey is NQTKUSCBNAODLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FNO3/c1-18(12-7-3-2-4-8-12)15(19)11-21-16(20)13-9-5-6-10-14(13)17/h5-6,9-10,12H,2-4,7-8,11H2,1H3.
What are the key properties of [2-[cyclohexyl(methyl)amino]-2-oxoethyl] 2-fluorobenzoate?
[2-[cyclohexyl(methyl)amino]-2-oxoethyl] 2-fluorobenzoate has a molecular weight of 293.34 g/mol, XLogP of 2.77, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[cyclohexyl(methyl)amino]-2-oxoethyl] 2-fluorobenzoate is sourced from PubChem (CID 23931327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).