methyl N-[1-(cyclohexylamino)-3,3-bis(4-fluorophenyl)-1-oxopropan-2-yl]carbamate

C23H26F2N2O3 — CID 138547273

IUPACmethyl N-[1-(cyclohexylamino)-3,3-bis(4-fluorophenyl)-1-oxopropan-2-yl]carbamate
SMILESCOC(=O)NC(C(=O)NC1CCCCC1)C(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C23H26F2N2O3/c1-30-23(29)27-21(22(28)26-19-5-3-2-4-6-19)20(15-7-11-17(24)12-8-15)16-9-13-18(25)14-10-16/h7-14,19-21H,2-6H2,1H3,(H,26,28)(H,27,29)
InChIKeyACIUZOWCQJMOEU-UHFFFAOYSA-N
MW416.47 g/mol
LogP4.27
Rot. Bonds6

About methyl N-[1-(cyclohexylamino)-3,3-bis(4-fluorophenyl)-1-oxopropan-2-yl]carbamate

methyl N-[1-(cyclohexylamino)-3,3-bis(4-fluorophenyl)-1-oxopropan-2-yl]carbamate (PubChem CID 138547273) has the molecular formula C23H26F2N2O3 and a molecular weight of 416.47 g/mol. Its IUPAC name is methyl N-[1-(cyclohexylamino)-3,3-bis(4-fluorophenyl)-1-oxopropan-2-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[1-(cyclohexylamino)-3,3-bis(4-fluorophenyl)-1-oxopropan-2-yl]carbamate
PubChem CID138547273
Molecular FormulaC23H26F2N2O3
Molecular Weight416.47 g/mol
Exact Mass416.19
IUPAC Namemethyl N-[1-(cyclohexylamino)-3,3-bis(4-fluorophenyl)-1-oxopropan-2-yl]carbamate
SMILESCOC(=O)NC(C(=O)NC1CCCCC1)C(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C23H26F2N2O3/c1-30-23(29)27-21(22(28)26-19-5-3-2-4-6-19)20(15-7-11-17(24)12-8-15)16-9-13-18(25)14-10-16/h7-14,19-21H,2-6H2,1H3,(H,26,28)(H,27,29)
InChIKeyACIUZOWCQJMOEU-UHFFFAOYSA-N
XLogP4.27
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.47
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze methyl N-[1-(cyclohexylamino)-3,3-bis(4-fluorophenyl)-1-oxopropan-2-yl]carbamate with MolForge

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Related Compounds

N-cyclopentyl-2-(4-fluorophenyl)-3-methylbutanamide
CID 110316813
2-chloro-N-cyclopentyl-2-(4-fluorophenyl)acetamide
CID 62224247
N-cyclooctyl-2-(4-fluorophenoxy)propanamide
CID 42909316
1-cyclopentyl-3-[(1S)-1-(4-fluorophenyl)-2-methylpropyl]urea
CID 41327503
[(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl] 4-fluorobenzoate
CID 6998373
methyl (2R)-2-cyclopentyl-2-(4-fluorophenyl)acetate
CID 124640320
2-cyano-N-cyclohexyl-3-(4-fluorophenyl)-3-oxopropanamide
CID 51086390
(2R)-N-cyclohexyl-2-(4-fluorophenoxy)butanamide
CID 28569448
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 4-fluorobenzoate
CID 7478290
N-cyclopropyl-2-(4-fluorophenyl)-2-hydroxyacetamide
CID 82126665
methyl N-cyclohexadecylcarbamate
CID 131977131
1-cyclohexyl-3-[1-(3-fluoro-4-methoxyphenyl)ethyl]urea
CID 47010316

Frequently Asked Questions

What is the IUPAC name of methyl N-[1-(cyclohexylamino)-3,3-bis(4-fluorophenyl)-1-oxopropan-2-yl]carbamate?
The IUPAC name of methyl N-[1-(cyclohexylamino)-3,3-bis(4-fluorophenyl)-1-oxopropan-2-yl]carbamate (CID 138547273) is methyl N-[1-(cyclohexylamino)-3,3-bis(4-fluorophenyl)-1-oxopropan-2-yl]carbamate.
What is the SMILES notation for methyl N-[1-(cyclohexylamino)-3,3-bis(4-fluorophenyl)-1-oxopropan-2-yl]carbamate?
The canonical SMILES for methyl N-[1-(cyclohexylamino)-3,3-bis(4-fluorophenyl)-1-oxopropan-2-yl]carbamate is COC(=O)NC(C(=O)NC1CCCCC1)C(c1ccc(F)cc1)c1ccc(F)cc1.
What is the InChIKey of methyl N-[1-(cyclohexylamino)-3,3-bis(4-fluorophenyl)-1-oxopropan-2-yl]carbamate?
The InChIKey is ACIUZOWCQJMOEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F2N2O3/c1-30-23(29)27-21(22(28)26-19-5-3-2-4-6-19)20(15-7-11-17(24)12-8-15)16-9-13-18(25)14-10-16/h7-14,19-21H,2-6H2,1H3,(H,26,28)(H,27,29).
What are the key properties of methyl N-[1-(cyclohexylamino)-3,3-bis(4-fluorophenyl)-1-oxopropan-2-yl]carbamate?
methyl N-[1-(cyclohexylamino)-3,3-bis(4-fluorophenyl)-1-oxopropan-2-yl]carbamate has a molecular weight of 416.47 g/mol, XLogP of 4.27, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[1-(cyclohexylamino)-3,3-bis(4-fluorophenyl)-1-oxopropan-2-yl]carbamate is sourced from PubChem (CID 138547273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).