ethyl 2-cyclohexyl-2-(2-fluoroanilino)propanoate

C17H24FNO2 — CID 63526274

IUPACethyl 2-cyclohexyl-2-(2-fluoroanilino)propanoate
SMILESCCOC(=O)C(C)(Nc1ccccc1F)C1CCCCC1
InChIInChI=1S/C17H24FNO2/c1-3-21-16(20)17(2,13-9-5-4-6-10-13)19-15-12-8-7-11-14(15)18/h7-8,11-13,19H,3-6,9-10H2,1-2H3
InChIKeyMFRXFVCRVMXLLN-UHFFFAOYSA-N
MW293.38 g/mol
LogP4.14
Rot. Bonds5

About ethyl 2-cyclohexyl-2-(2-fluoroanilino)propanoate

ethyl 2-cyclohexyl-2-(2-fluoroanilino)propanoate (PubChem CID 63526274) has the molecular formula C17H24FNO2 and a molecular weight of 293.38 g/mol. Its IUPAC name is ethyl 2-cyclohexyl-2-(2-fluoroanilino)propanoate.

Molecular Properties

Compound Nameethyl 2-cyclohexyl-2-(2-fluoroanilino)propanoate
PubChem CID63526274
Molecular FormulaC17H24FNO2
Molecular Weight293.38 g/mol
Exact Mass293.18
IUPAC Nameethyl 2-cyclohexyl-2-(2-fluoroanilino)propanoate
SMILESCCOC(=O)C(C)(Nc1ccccc1F)C1CCCCC1
InChIInChI=1S/C17H24FNO2/c1-3-21-16(20)17(2,13-9-5-4-6-10-13)19-15-12-8-7-11-14(15)18/h7-8,11-13,19H,3-6,9-10H2,1-2H3
InChIKeyMFRXFVCRVMXLLN-UHFFFAOYSA-N
XLogP4.14
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.38
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(2-benzoylhydrazinyl)-2-cyclohexylpropanoate
CID 142705382
methyl 3-cyclobutyl-2-(2-fluoroanilino)-2-methylpropanoate
CID 113490114
2-cyclopropyl-2-(2-fluoroanilino)butanamide
CID 64920389
ethyl 2-(4-bromoanilino)-2-cyclopropylpropanoate
CID 54890637
methyl 2-ethyl-2-(2-fluoroanilino)butanoate
CID 54890887
ethyl 2-cyclohexyl-2-(prop-2-ynylamino)propanoate
CID 63323924
methyl 2-(2-fluoroanilino)-2-propylpentanoate
CID 54890183
methyl 2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-2-cyclohexylpropanoate
CID 23374248
ethyl N-[1,1,1,3,3,3-hexafluoro-2-(2-fluoroanilino)propan-2-yl]carbamate
CID 2264268
ethyl 2-cyclopropyl-2-(methylamino)propanoate
CID 60788390
ethyl (2R)-2-cyclohexyl-2-hydroxypropanoate
CID 97047914
methyl 2-(benzylamino)-2-cyclohexylpropanoate
CID 63320778

Frequently Asked Questions

What is the IUPAC name of ethyl 2-cyclohexyl-2-(2-fluoroanilino)propanoate?
The IUPAC name of ethyl 2-cyclohexyl-2-(2-fluoroanilino)propanoate (CID 63526274) is ethyl 2-cyclohexyl-2-(2-fluoroanilino)propanoate.
What is the SMILES notation for ethyl 2-cyclohexyl-2-(2-fluoroanilino)propanoate?
The canonical SMILES for ethyl 2-cyclohexyl-2-(2-fluoroanilino)propanoate is CCOC(=O)C(C)(Nc1ccccc1F)C1CCCCC1.
What is the InChIKey of ethyl 2-cyclohexyl-2-(2-fluoroanilino)propanoate?
The InChIKey is MFRXFVCRVMXLLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FNO2/c1-3-21-16(20)17(2,13-9-5-4-6-10-13)19-15-12-8-7-11-14(15)18/h7-8,11-13,19H,3-6,9-10H2,1-2H3.
What are the key properties of ethyl 2-cyclohexyl-2-(2-fluoroanilino)propanoate?
ethyl 2-cyclohexyl-2-(2-fluoroanilino)propanoate has a molecular weight of 293.38 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-cyclohexyl-2-(2-fluoroanilino)propanoate is sourced from PubChem (CID 63526274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).