(2S)-2-(2-chloro-4-phenylphenoxy)-N-(cyclohexylcarbamoyl)propanamide

C22H25ClN2O3 — CID 7653013

IUPAC(2S)-2-(2-chloro-4-phenylphenoxy)-N-(cyclohexylcarbamoyl)propanamide
SMILESC[C@H](Oc1ccc(-c2ccccc2)cc1Cl)C(=O)NC(=O)NC1CCCCC1
InChIInChI=1S/C22H25ClN2O3/c1-15(21(26)25-22(27)24-18-10-6-3-7-11-18)28-20-13-12-17(14-19(20)23)16-8-4-2-5-9-16/h2,4-5,8-9,12-15,18H,3,6-7,10-11H2,1H3,(H2,24,25,26,27)/t15-/m0/s1
InChIKeyQTBLUSWFKSFTAY-HNNXBMFYSA-N
MW400.91 g/mol
LogP4.93
Rot. Bonds5

About (2S)-2-(2-chloro-4-phenylphenoxy)-N-(cyclohexylcarbamoyl)propanamide

(2S)-2-(2-chloro-4-phenylphenoxy)-N-(cyclohexylcarbamoyl)propanamide (PubChem CID 7653013) has the molecular formula C22H25ClN2O3 and a molecular weight of 400.91 g/mol. Its IUPAC name is (2S)-2-(2-chloro-4-phenylphenoxy)-N-(cyclohexylcarbamoyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(2-chloro-4-phenylphenoxy)-N-(cyclohexylcarbamoyl)propanamide
PubChem CID7653013
Molecular FormulaC22H25ClN2O3
Molecular Weight400.91 g/mol
Exact Mass400.16
IUPAC Name(2S)-2-(2-chloro-4-phenylphenoxy)-N-(cyclohexylcarbamoyl)propanamide
SMILESC[C@H](Oc1ccc(-c2ccccc2)cc1Cl)C(=O)NC(=O)NC1CCCCC1
InChIInChI=1S/C22H25ClN2O3/c1-15(21(26)25-22(27)24-18-10-6-3-7-11-18)28-20-13-12-17(14-19(20)23)16-8-4-2-5-9-16/h2,4-5,8-9,12-15,18H,3,6-7,10-11H2,1H3,(H2,24,25,26,27)/t15-/m0/s1
InChIKeyQTBLUSWFKSFTAY-HNNXBMFYSA-N
XLogP4.93
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.91
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(2-chloro-4-phenylphenoxy)-N-cyclopentylpropanamide
CID 7652970
(2S)-2-(2-chlorophenoxy)-N-(cyclohexylcarbamoyl)propanamide
CID 7815946
(2S)-N-cyclopentyl-2-(4-phenylphenoxy)propanamide
CID 7868566
[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-(2-chloro-4-phenylphenoxy)acetate
CID 8546814
(2S)-2-(4-chloronaphthalen-1-yl)oxy-N-cyclopentylpropanamide
CID 8021445
(2R)-2-(4-chlorophenoxy)-N-(cyclohexylcarbamoyl)propanamide
CID 7816268
2-[(2R)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl]oxy-N-phenylbenzamide
CID 7980906
(2S)-N-cyclopropyl-2-(2,4-dichlorophenoxy)propanamide
CID 898785
(2R)-N-cyclopropyl-2-(2,4-dichlorophenoxy)propanamide
CID 898786
2-(4-chloro-2-methylphenoxy)-N-cycloheptylpropanamide
CID 2932831
(2R)-N-cycloheptyl-2-phenoxypropanamide
CID 669971
(2S)-N-cyclooctyl-2-(2-methylphenoxy)propanamide
CID 94842700

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-chloro-4-phenylphenoxy)-N-(cyclohexylcarbamoyl)propanamide?
The IUPAC name of (2S)-2-(2-chloro-4-phenylphenoxy)-N-(cyclohexylcarbamoyl)propanamide (CID 7653013) is (2S)-2-(2-chloro-4-phenylphenoxy)-N-(cyclohexylcarbamoyl)propanamide.
What is the SMILES notation for (2S)-2-(2-chloro-4-phenylphenoxy)-N-(cyclohexylcarbamoyl)propanamide?
The canonical SMILES for (2S)-2-(2-chloro-4-phenylphenoxy)-N-(cyclohexylcarbamoyl)propanamide is C[C@H](Oc1ccc(-c2ccccc2)cc1Cl)C(=O)NC(=O)NC1CCCCC1.
What is the InChIKey of (2S)-2-(2-chloro-4-phenylphenoxy)-N-(cyclohexylcarbamoyl)propanamide?
The InChIKey is QTBLUSWFKSFTAY-HNNXBMFYSA-N. The full InChI is InChI=1S/C22H25ClN2O3/c1-15(21(26)25-22(27)24-18-10-6-3-7-11-18)28-20-13-12-17(14-19(20)23)16-8-4-2-5-9-16/h2,4-5,8-9,12-15,18H,3,6-7,10-11H2,1H3,(H2,24,25,26,27)/t15-/m0/s1.
What are the key properties of (2S)-2-(2-chloro-4-phenylphenoxy)-N-(cyclohexylcarbamoyl)propanamide?
(2S)-2-(2-chloro-4-phenylphenoxy)-N-(cyclohexylcarbamoyl)propanamide has a molecular weight of 400.91 g/mol, XLogP of 4.93, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-chloro-4-phenylphenoxy)-N-(cyclohexylcarbamoyl)propanamide is sourced from PubChem (CID 7653013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).