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

C16H21ClN2O3 — CID 7816268

IUPAC(2R)-2-(4-chlorophenoxy)-N-(cyclohexylcarbamoyl)propanamide
SMILESC[C@@H](Oc1ccc(Cl)cc1)C(=O)NC(=O)NC1CCCCC1
InChIInChI=1S/C16H21ClN2O3/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
InChIKeyGQFMGQALDGVYME-LLVKDONJSA-N
MW324.81 g/mol
LogP3.27
Rot. Bonds4

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

(2R)-2-(4-chlorophenoxy)-N-(cyclohexylcarbamoyl)propanamide (PubChem CID 7816268) has the molecular formula C16H21ClN2O3 and a molecular weight of 324.81 g/mol. Its IUPAC name is (2R)-2-(4-chlorophenoxy)-N-(cyclohexylcarbamoyl)propanamide.

Molecular Properties

Compound Name(2R)-2-(4-chlorophenoxy)-N-(cyclohexylcarbamoyl)propanamide
PubChem CID7816268
Molecular FormulaC16H21ClN2O3
Molecular Weight324.81 g/mol
Exact Mass324.12
IUPAC Name(2R)-2-(4-chlorophenoxy)-N-(cyclohexylcarbamoyl)propanamide
SMILESC[C@@H](Oc1ccc(Cl)cc1)C(=O)NC(=O)NC1CCCCC1
InChIInChI=1S/C16H21ClN2O3/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
InChIKeyGQFMGQALDGVYME-LLVKDONJSA-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-(4-bromophenoxy)-N-(cyclohexylcarbamoyl)propanamide
CID 7815645
(2R)-N-(cyclohexylcarbamoyl)-2-(4-fluorophenoxy)propanamide
CID 7817937
(2S)-2-(4-tert-butylphenoxy)-N-(cyclohexylcarbamoyl)propanamide
CID 7703486
(2S)-N-(cyclohexylcarbamoyl)-2-(4-nitrophenoxy)propanamide
CID 7816857
(2S)-2-(2-chlorophenoxy)-N-(cyclohexylcarbamoyl)propanamide
CID 7815946
2-(4-chlorophenoxy)ethyl-[(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl]-methylazanium
CID 9252222
2-(4-chlorophenoxy)-N-(cyclohexylmethyl)propanamide
CID 133164152
N-cyclooctyl-2-(4-fluorophenoxy)propanamide
CID 42909316
(2R)-N-cycloheptyl-2-phenoxypropanamide
CID 669971
2-chloro-5-[2-(4-chlorophenoxy)propanoylamino]-N-cyclohexylbenzamide
CID 17188484
[2-(cyclopentylamino)-2-oxoethyl] (2S)-2-(4-chlorophenoxy)propanoate
CID 8867507
4-[1-(cyclohexylamino)-1-oxopropan-2-yl]oxybenzoic acid
CID 43084651

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-chlorophenoxy)-N-(cyclohexylcarbamoyl)propanamide?
The IUPAC name of (2R)-2-(4-chlorophenoxy)-N-(cyclohexylcarbamoyl)propanamide (CID 7816268) is (2R)-2-(4-chlorophenoxy)-N-(cyclohexylcarbamoyl)propanamide.
What is the SMILES notation for (2R)-2-(4-chlorophenoxy)-N-(cyclohexylcarbamoyl)propanamide?
The canonical SMILES for (2R)-2-(4-chlorophenoxy)-N-(cyclohexylcarbamoyl)propanamide is C[C@@H](Oc1ccc(Cl)cc1)C(=O)NC(=O)NC1CCCCC1.
What is the InChIKey of (2R)-2-(4-chlorophenoxy)-N-(cyclohexylcarbamoyl)propanamide?
The InChIKey is GQFMGQALDGVYME-LLVKDONJSA-N. The full InChI is InChI=1S/C16H21ClN2O3/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)-2-(4-chlorophenoxy)-N-(cyclohexylcarbamoyl)propanamide?
(2R)-2-(4-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 (2R)-2-(4-chlorophenoxy)-N-(cyclohexylcarbamoyl)propanamide is sourced from PubChem (CID 7816268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).