cyclohexyl (2S)-2-[4-[(4-fluorophenyl)carbamoyl]phenoxy]propanoate

C22H24FNO4 — CID 7695414

IUPACcyclohexyl (2S)-2-[4-[(4-fluorophenyl)carbamoyl]phenoxy]propanoate
SMILESC[C@H](Oc1ccc(C(=O)Nc2ccc(F)cc2)cc1)C(=O)OC1CCCCC1
InChIInChI=1S/C22H24FNO4/c1-15(22(26)28-19-5-3-2-4-6-19)27-20-13-7-16(8-14-20)21(25)24-18-11-9-17(23)10-12-18/h7-15,19H,2-6H2,1H3,(H,24,25)/t15-/m0/s1
InChIKeyXQLBBDAVYWSDPV-HNNXBMFYSA-N
MW385.44 g/mol
LogP4.72
Rot. Bonds6

About cyclohexyl (2S)-2-[4-[(4-fluorophenyl)carbamoyl]phenoxy]propanoate

cyclohexyl (2S)-2-[4-[(4-fluorophenyl)carbamoyl]phenoxy]propanoate (PubChem CID 7695414) has the molecular formula C22H24FNO4 and a molecular weight of 385.44 g/mol. Its IUPAC name is cyclohexyl (2S)-2-[4-[(4-fluorophenyl)carbamoyl]phenoxy]propanoate.

Molecular Properties

Compound Namecyclohexyl (2S)-2-[4-[(4-fluorophenyl)carbamoyl]phenoxy]propanoate
PubChem CID7695414
Molecular FormulaC22H24FNO4
Molecular Weight385.44 g/mol
Exact Mass385.17
IUPAC Namecyclohexyl (2S)-2-[4-[(4-fluorophenyl)carbamoyl]phenoxy]propanoate
SMILESC[C@H](Oc1ccc(C(=O)Nc2ccc(F)cc2)cc1)C(=O)OC1CCCCC1
InChIInChI=1S/C22H24FNO4/c1-15(22(26)28-19-5-3-2-4-6-19)27-20-13-7-16(8-14-20)21(25)24-18-11-9-17(23)10-12-18/h7-15,19H,2-6H2,1H3,(H,24,25)/t15-/m0/s1
InChIKeyXQLBBDAVYWSDPV-HNNXBMFYSA-N
XLogP4.72
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.44
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

cyclohexyl (2R)-2-[4-[(4-fluorophenyl)carbamoyl]phenoxy]propanoate
CID 7695417
(2S)-2-[4-[(4-fluorophenyl)carbamoyl]phenoxy]propanoic acid
CID 733394
cyclohexyl 4-[(4-fluorobenzoyl)amino]benzoate
CID 17128629
4-[(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl]oxy-N-(4-methylphenyl)benzamide
CID 7709738
4-[[(2S)-2-(4-fluorophenoxy)propanoyl]amino]-N-(4-methoxyphenyl)benzamide
CID 8884358
cyclohexyl 4-[2-(4-tert-butylphenoxy)propanoylamino]benzoate
CID 19203455
cyclohexyl 2-(4-phenylphenoxy)propanoate
CID 23961617
cyclohexyl 4-[(4-propan-2-yloxybenzoyl)carbamothioylamino]benzoate
CID 17128785
4-[1-(4-ethylanilino)-1-oxopropan-2-yl]oxy-N-(4-fluorophenyl)benzamide
CID 3691715
(2-chlorophenyl)methyl 2-[4-[(4-fluorophenyl)carbamoyl]phenoxy]propanoate
CID 3254737
N-[2-(4-cyclopentyloxyanilino)-2-oxoethyl]-4-fluorobenzamide
CID 38455253
N-[(1R)-1-cyclohexylethyl]-4-[(4-fluorobenzoyl)amino]-N-methylbenzamide
CID 58708194

Frequently Asked Questions

What is the IUPAC name of cyclohexyl (2S)-2-[4-[(4-fluorophenyl)carbamoyl]phenoxy]propanoate?
The IUPAC name of cyclohexyl (2S)-2-[4-[(4-fluorophenyl)carbamoyl]phenoxy]propanoate (CID 7695414) is cyclohexyl (2S)-2-[4-[(4-fluorophenyl)carbamoyl]phenoxy]propanoate.
What is the SMILES notation for cyclohexyl (2S)-2-[4-[(4-fluorophenyl)carbamoyl]phenoxy]propanoate?
The canonical SMILES for cyclohexyl (2S)-2-[4-[(4-fluorophenyl)carbamoyl]phenoxy]propanoate is C[C@H](Oc1ccc(C(=O)Nc2ccc(F)cc2)cc1)C(=O)OC1CCCCC1.
What is the InChIKey of cyclohexyl (2S)-2-[4-[(4-fluorophenyl)carbamoyl]phenoxy]propanoate?
The InChIKey is XQLBBDAVYWSDPV-HNNXBMFYSA-N. The full InChI is InChI=1S/C22H24FNO4/c1-15(22(26)28-19-5-3-2-4-6-19)27-20-13-7-16(8-14-20)21(25)24-18-11-9-17(23)10-12-18/h7-15,19H,2-6H2,1H3,(H,24,25)/t15-/m0/s1.
What are the key properties of cyclohexyl (2S)-2-[4-[(4-fluorophenyl)carbamoyl]phenoxy]propanoate?
cyclohexyl (2S)-2-[4-[(4-fluorophenyl)carbamoyl]phenoxy]propanoate has a molecular weight of 385.44 g/mol, XLogP of 4.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl (2S)-2-[4-[(4-fluorophenyl)carbamoyl]phenoxy]propanoate is sourced from PubChem (CID 7695414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).