cyclohexyl-[(1S)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl]-methylazanium

C21H26FN2O+ — CID 8009103

IUPACcyclohexyl-[(1S)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl]-methylazanium
SMILESC[NH+](C1CCCCC1)[C@H](C(=O)Nc1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C21H25FN2O/c1-24(19-10-6-3-7-11-19)20(16-8-4-2-5-9-16)21(25)23-18-14-12-17(22)13-15-18/h2,4-5,8-9,12-15,19-20H,3,6-7,10-11H2,1H3,(H,23,25)/p+1/t20-/m0/s1
InChIKeyXKUDNSUBTMRNDU-FQEVSTJZSA-O
MW341.45 g/mol
LogP3.35
Rot. Bonds5

About cyclohexyl-[(1S)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl]-methylazanium

cyclohexyl-[(1S)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl]-methylazanium (PubChem CID 8009103) has the molecular formula C21H26FN2O+ and a molecular weight of 341.45 g/mol. Its IUPAC name is cyclohexyl-[(1S)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl]-methylazanium.

Molecular Properties

Compound Namecyclohexyl-[(1S)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl]-methylazanium
PubChem CID8009103
Molecular FormulaC21H26FN2O+
Molecular Weight341.45 g/mol
Exact Mass341.20
IUPAC Namecyclohexyl-[(1S)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl]-methylazanium
SMILESC[NH+](C1CCCCC1)[C@H](C(=O)Nc1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C21H25FN2O/c1-24(19-10-6-3-7-11-19)20(16-8-4-2-5-9-16)21(25)23-18-14-12-17(22)13-15-18/h2,4-5,8-9,12-15,19-20H,3,6-7,10-11H2,1H3,(H,23,25)/p+1/t20-/m0/s1
InChIKeyXKUDNSUBTMRNDU-FQEVSTJZSA-O
XLogP3.35
TPSA33.54 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-2-(cyclohexylamino)-N-(4-fluorophenyl)-2-phenylacetamide
CID 40632646
2-[cyclohexyl(methyl)amino]-N-(4-fluorophenyl)-2-phenylacetamide
CID 4847563
N-(4-fluorophenyl)-2-phenylpropanamide
CID 2940269
[(1S)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
CID 9049751
[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]-[2-(4-fluoroanilino)-2-oxoethyl]-methylazanium
CID 9040937
[(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl]-methyl-(thiophen-2-ylmethyl)azanium
CID 8516849
N-[4-[2-(4-fluoroanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]cyclohexanecarboxamide
CID 23095705
dimethyl-[2-oxo-1-phenyl-2-(4-propan-2-ylanilino)ethyl]azanium
CID 4173058
[2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 3-cyclopentylpropanoate
CID 78536179
2-(4-fluoroanilino)-N-(4-fluorophenyl)-2-phenylacetamide
CID 46799428
(2S)-2-anilino-N-(4-fluorophenyl)-2-phenylacetamide
CID 7830464
N-(4-fluorophenyl)-2-(4-methyl-1,3-dioxetan-2-yl)-2-phenylacetamide
CID 70814155

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[(1S)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl]-methylazanium?
The IUPAC name of cyclohexyl-[(1S)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl]-methylazanium (CID 8009103) is cyclohexyl-[(1S)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl]-methylazanium.
What is the SMILES notation for cyclohexyl-[(1S)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl]-methylazanium?
The canonical SMILES for cyclohexyl-[(1S)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl]-methylazanium is C[NH+](C1CCCCC1)[C@H](C(=O)Nc1ccc(F)cc1)c1ccccc1.
What is the InChIKey of cyclohexyl-[(1S)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl]-methylazanium?
The InChIKey is XKUDNSUBTMRNDU-FQEVSTJZSA-O. The full InChI is InChI=1S/C21H25FN2O/c1-24(19-10-6-3-7-11-19)20(16-8-4-2-5-9-16)21(25)23-18-14-12-17(22)13-15-18/h2,4-5,8-9,12-15,19-20H,3,6-7,10-11H2,1H3,(H,23,25)/p+1/t20-/m0/s1.
What are the key properties of cyclohexyl-[(1S)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl]-methylazanium?
cyclohexyl-[(1S)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl]-methylazanium has a molecular weight of 341.45 g/mol, XLogP of 3.35, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[(1S)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl]-methylazanium is sourced from PubChem (CID 8009103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).