(2R)-N-(cyclohexylcarbamoyl)-2-(4-fluorophenoxy)propanamide

C16H21FN2O3 — CID 7817937

IUPAC(2R)-N-(cyclohexylcarbamoyl)-2-(4-fluorophenoxy)propanamide
SMILESC[C@@H](Oc1ccc(F)cc1)C(=O)NC(=O)NC1CCCCC1
InChIInChI=1S/C16H21FN2O3/c1-11(22-14-9-7-12(17)8-10-14)15(20)19-16(21)18-13-5-3-2-4-6-13/h7-11,13H,2-6H2,1H3,(H2,18,19,20,21)/t11-/m1/s1
InChIKeyXMHGHZKDSGHQCN-LLVKDONJSA-N
MW308.35 g/mol
LogP2.75
Rot. Bonds4

About (2R)-N-(cyclohexylcarbamoyl)-2-(4-fluorophenoxy)propanamide

(2R)-N-(cyclohexylcarbamoyl)-2-(4-fluorophenoxy)propanamide (PubChem CID 7817937) has the molecular formula C16H21FN2O3 and a molecular weight of 308.35 g/mol. Its IUPAC name is (2R)-N-(cyclohexylcarbamoyl)-2-(4-fluorophenoxy)propanamide.

Molecular Properties

Compound Name(2R)-N-(cyclohexylcarbamoyl)-2-(4-fluorophenoxy)propanamide
PubChem CID7817937
Molecular FormulaC16H21FN2O3
Molecular Weight308.35 g/mol
Exact Mass308.15
IUPAC Name(2R)-N-(cyclohexylcarbamoyl)-2-(4-fluorophenoxy)propanamide
SMILESC[C@@H](Oc1ccc(F)cc1)C(=O)NC(=O)NC1CCCCC1
InChIInChI=1S/C16H21FN2O3/c1-11(22-14-9-7-12(17)8-10-14)15(20)19-16(21)18-13-5-3-2-4-6-13/h7-11,13H,2-6H2,1H3,(H2,18,19,20,21)/t11-/m1/s1
InChIKeyXMHGHZKDSGHQCN-LLVKDONJSA-N
XLogP2.75
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.35
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclooctyl-2-(4-fluorophenoxy)propanamide
CID 42909316
(2R)-2-(4-chlorophenoxy)-N-(cyclohexylcarbamoyl)propanamide
CID 7816268
(2S)-2-(4-bromophenoxy)-N-(cyclohexylcarbamoyl)propanamide
CID 7815645
(2S)-2-(4-tert-butylphenoxy)-N-(cyclohexylcarbamoyl)propanamide
CID 7703486
N-cyclohexyl-2-[4-(4-fluorobenzoyl)phenoxy]propanamide
CID 4817669
(2S)-N-(cyclohexylcarbamoyl)-2-(4-nitrophenoxy)propanamide
CID 7816857
[(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl] (2S)-2-(4-fluorophenoxy)propanoate
CID 8935817
[(2S)-1-(cycloheptylamino)-1-oxopropan-2-yl] (2S)-2-(4-fluorophenoxy)propanoate
CID 8935810
N-cycloheptyl-2-[4-[(4-fluorophenyl)sulfonyl-methylamino]phenoxy]propanamide
CID 17427987
[(2R)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 3-(4-fluorophenyl)propanoate
CID 8553461
(2S)-2-(2-chlorophenoxy)-N-(cyclohexylcarbamoyl)propanamide
CID 7815946
N-[1-(cyclohexylmethyl)piperidin-4-yl]-2-(4-fluorophenoxy)propanamide
CID 51127399

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(cyclohexylcarbamoyl)-2-(4-fluorophenoxy)propanamide?
The IUPAC name of (2R)-N-(cyclohexylcarbamoyl)-2-(4-fluorophenoxy)propanamide (CID 7817937) is (2R)-N-(cyclohexylcarbamoyl)-2-(4-fluorophenoxy)propanamide.
What is the SMILES notation for (2R)-N-(cyclohexylcarbamoyl)-2-(4-fluorophenoxy)propanamide?
The canonical SMILES for (2R)-N-(cyclohexylcarbamoyl)-2-(4-fluorophenoxy)propanamide is C[C@@H](Oc1ccc(F)cc1)C(=O)NC(=O)NC1CCCCC1.
What is the InChIKey of (2R)-N-(cyclohexylcarbamoyl)-2-(4-fluorophenoxy)propanamide?
The InChIKey is XMHGHZKDSGHQCN-LLVKDONJSA-N. The full InChI is InChI=1S/C16H21FN2O3/c1-11(22-14-9-7-12(17)8-10-14)15(20)19-16(21)18-13-5-3-2-4-6-13/h7-11,13H,2-6H2,1H3,(H2,18,19,20,21)/t11-/m1/s1.
What are the key properties of (2R)-N-(cyclohexylcarbamoyl)-2-(4-fluorophenoxy)propanamide?
(2R)-N-(cyclohexylcarbamoyl)-2-(4-fluorophenoxy)propanamide has a molecular weight of 308.35 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(cyclohexylcarbamoyl)-2-(4-fluorophenoxy)propanamide is sourced from PubChem (CID 7817937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).