(2S)-2-(2-chlorophenoxy)-N-(cyclohexylcarbamoyl)propanamide

C16H21ClN2O3 — CID 7815946

IUPAC(2S)-2-(2-chlorophenoxy)-N-(cyclohexylcarbamoyl)propanamide
SMILESC[C@H](Oc1ccccc1Cl)C(=O)NC(=O)NC1CCCCC1
InChIInChI=1S/C16H21ClN2O3/c1-11(22-14-10-6-5-9-13(14)17)15(20)19-16(21)18-12-7-3-2-4-8-12/h5-6,9-12H,2-4,7-8H2,1H3,(H2,18,19,20,21)/t11-/m0/s1
InChIKeySTNIEKFOLBIEIJ-NSHDSACASA-N
MW324.81 g/mol
LogP3.27
Rot. Bonds4

About (2S)-2-(2-chlorophenoxy)-N-(cyclohexylcarbamoyl)propanamide

(2S)-2-(2-chlorophenoxy)-N-(cyclohexylcarbamoyl)propanamide (PubChem CID 7815946) has the molecular formula C16H21ClN2O3 and a molecular weight of 324.81 g/mol. Its IUPAC name is (2S)-2-(2-chlorophenoxy)-N-(cyclohexylcarbamoyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(2-chlorophenoxy)-N-(cyclohexylcarbamoyl)propanamide
PubChem CID7815946
Molecular FormulaC16H21ClN2O3
Molecular Weight324.81 g/mol
Exact Mass324.12
IUPAC Name(2S)-2-(2-chlorophenoxy)-N-(cyclohexylcarbamoyl)propanamide
SMILESC[C@H](Oc1ccccc1Cl)C(=O)NC(=O)NC1CCCCC1
InChIInChI=1S/C16H21ClN2O3/c1-11(22-14-10-6-5-9-13(14)17)15(20)19-16(21)18-12-7-3-2-4-8-12/h5-6,9-12H,2-4,7-8H2,1H3,(H2,18,19,20,21)/t11-/m0/s1
InChIKeySTNIEKFOLBIEIJ-NSHDSACASA-N
XLogP3.27
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.81
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(2-chloro-4-phenylphenoxy)-N-(cyclohexylcarbamoyl)propanamide
CID 7653013
(2R)-2-(4-chlorophenoxy)-N-(cyclohexylcarbamoyl)propanamide
CID 7816268
4-[2-(2-chlorophenoxy)propanoylamino]-N-cyclohexylbenzamide
CID 43878541
2-[(2R)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl]oxy-N-phenylbenzamide
CID 7980906
(2R)-2-(2-chlorophenoxy)-N-(methylcarbamoyl)propanamide
CID 7815932
2-(2-chlorophenoxy)-N-piperidin-4-ylpropanamide
CID 119387688
[(2R)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2,3-dichlorobenzoate
CID 7722733
(2R)-N-(cyclohexylcarbamoyl)-2-(4-fluorophenoxy)propanamide
CID 7817937
[1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2-[(2-chlorobenzoyl)amino]propanoate
CID 55307018
(2S)-N-cyclooctyl-2-(2-methylphenoxy)propanamide
CID 94842700
N-cyclohexyl-2-(2-methoxyphenoxy)propanamide
CID 5003306
(2S)-2-(2-chloro-4-phenylphenoxy)-N-cyclopentylpropanamide
CID 7652970

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-chlorophenoxy)-N-(cyclohexylcarbamoyl)propanamide?
The IUPAC name of (2S)-2-(2-chlorophenoxy)-N-(cyclohexylcarbamoyl)propanamide (CID 7815946) is (2S)-2-(2-chlorophenoxy)-N-(cyclohexylcarbamoyl)propanamide.
What is the SMILES notation for (2S)-2-(2-chlorophenoxy)-N-(cyclohexylcarbamoyl)propanamide?
The canonical SMILES for (2S)-2-(2-chlorophenoxy)-N-(cyclohexylcarbamoyl)propanamide is C[C@H](Oc1ccccc1Cl)C(=O)NC(=O)NC1CCCCC1.
What is the InChIKey of (2S)-2-(2-chlorophenoxy)-N-(cyclohexylcarbamoyl)propanamide?
The InChIKey is STNIEKFOLBIEIJ-NSHDSACASA-N. The full InChI is InChI=1S/C16H21ClN2O3/c1-11(22-14-10-6-5-9-13(14)17)15(20)19-16(21)18-12-7-3-2-4-8-12/h5-6,9-12H,2-4,7-8H2,1H3,(H2,18,19,20,21)/t11-/m0/s1.
What are the key properties of (2S)-2-(2-chlorophenoxy)-N-(cyclohexylcarbamoyl)propanamide?
(2S)-2-(2-chlorophenoxy)-N-(cyclohexylcarbamoyl)propanamide has a molecular weight of 324.81 g/mol, XLogP of 3.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-chlorophenoxy)-N-(cyclohexylcarbamoyl)propanamide is sourced from PubChem (CID 7815946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).