[(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl] 4-fluorobenzoate

C16H20FNO3 — CID 6998373

IUPAC[(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl] 4-fluorobenzoate
SMILESC[C@@H](OC(=O)c1ccc(F)cc1)C(=O)NC1CCCCC1
InChIInChI=1S/C16H20FNO3/c1-11(15(19)18-14-5-3-2-4-6-14)21-16(20)12-7-9-13(17)10-8-12/h7-11,14H,2-6H2,1H3,(H,18,19)/t11-/m1/s1
InChIKeyWXPOCMUIZZJXCK-LLVKDONJSA-N
MW293.34 g/mol
LogP2.82
Rot. Bonds4

About [(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl] 4-fluorobenzoate

[(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl] 4-fluorobenzoate (PubChem CID 6998373) has the molecular formula C16H20FNO3 and a molecular weight of 293.34 g/mol. Its IUPAC name is [(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl] 4-fluorobenzoate.

Molecular Properties

Compound Name[(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl] 4-fluorobenzoate
PubChem CID6998373
Molecular FormulaC16H20FNO3
Molecular Weight293.34 g/mol
Exact Mass293.14
IUPAC Name[(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl] 4-fluorobenzoate
SMILESC[C@@H](OC(=O)c1ccc(F)cc1)C(=O)NC1CCCCC1
InChIInChI=1S/C16H20FNO3/c1-11(15(19)18-14-5-3-2-4-6-14)21-16(20)12-7-9-13(17)10-8-12/h7-11,14H,2-6H2,1H3,(H,18,19)/t11-/m1/s1
InChIKeyWXPOCMUIZZJXCK-LLVKDONJSA-N
XLogP2.82
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 4-fluorobenzoate
CID 7478290
[(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl] 3,5-difluorobenzoate
CID 8728481
[1-(cyclohexylamino)-1-oxopropan-2-yl] 4-iodobenzoate
CID 46790669
[1-(cyclohexylamino)-1-oxopropan-2-yl] benzoate
CID 42902121
[1-(cyclohexylamino)-1-oxopropan-2-yl] 4-acetamidobenzoate
CID 17483187
[1-(cyclopentylamino)-1-oxopropan-2-yl] 4-propan-2-ylbenzoate
CID 3637168
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 4-methoxybenzoate
CID 7506979
[1-(cyclohexylamino)-1-oxopropan-2-yl] 4-(difluoromethylsulfonyl)benzoate
CID 18080217
[(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl] 4-(4-fluorophenyl)-4-oxobutanoate
CID 7042925
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 4-propan-2-yloxybenzoate
CID 7193376
[1-(cyclopentylamino)-1-oxopropan-2-yl] pyridine-4-carboxylate
CID 3957199
[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 3-fluoro-4-methylbenzoate
CID 9386869

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl] 4-fluorobenzoate?
The IUPAC name of [(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl] 4-fluorobenzoate (CID 6998373) is [(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl] 4-fluorobenzoate.
What is the SMILES notation for [(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl] 4-fluorobenzoate?
The canonical SMILES for [(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl] 4-fluorobenzoate is C[C@@H](OC(=O)c1ccc(F)cc1)C(=O)NC1CCCCC1.
What is the InChIKey of [(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl] 4-fluorobenzoate?
The InChIKey is WXPOCMUIZZJXCK-LLVKDONJSA-N. The full InChI is InChI=1S/C16H20FNO3/c1-11(15(19)18-14-5-3-2-4-6-14)21-16(20)12-7-9-13(17)10-8-12/h7-11,14H,2-6H2,1H3,(H,18,19)/t11-/m1/s1.
What are the key properties of [(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl] 4-fluorobenzoate?
[(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl] 4-fluorobenzoate has a molecular weight of 293.34 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl] 4-fluorobenzoate is sourced from PubChem (CID 6998373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).