2-(4-chlorophenoxy)-N-(cyclohexylmethyl)propanamide

C16H22ClNO2 — CID 133164152

IUPAC2-(4-chlorophenoxy)-N-(cyclohexylmethyl)propanamide
SMILESCC(Oc1ccc(Cl)cc1)C(=O)NCC1CCCCC1
InChIInChI=1S/C16H22ClNO2/c1-12(20-15-9-7-14(17)8-10-15)16(19)18-11-13-5-3-2-4-6-13/h7-10,12-13H,2-6,11H2,1H3,(H,18,19)
InChIKeyGTIXXJFAIRRJTQ-UHFFFAOYSA-N
MW295.81 g/mol
LogP3.80
Rot. Bonds5

About 2-(4-chlorophenoxy)-N-(cyclohexylmethyl)propanamide

2-(4-chlorophenoxy)-N-(cyclohexylmethyl)propanamide (PubChem CID 133164152) has the molecular formula C16H22ClNO2 and a molecular weight of 295.81 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-(cyclohexylmethyl)propanamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-(cyclohexylmethyl)propanamide
PubChem CID133164152
Molecular FormulaC16H22ClNO2
Molecular Weight295.81 g/mol
Exact Mass295.13
IUPAC Name2-(4-chlorophenoxy)-N-(cyclohexylmethyl)propanamide
SMILESCC(Oc1ccc(Cl)cc1)C(=O)NCC1CCCCC1
InChIInChI=1S/C16H22ClNO2/c1-12(20-15-9-7-14(17)8-10-15)16(19)18-11-13-5-3-2-4-6-13/h7-10,12-13H,2-6,11H2,1H3,(H,18,19)
InChIKeyGTIXXJFAIRRJTQ-UHFFFAOYSA-N
XLogP3.80
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(3-chloro-4-fluorophenoxy)-N-(cyclohexylmethyl)propanamide
CID 7751170
(2S)-N-(cyclohexylmethyl)-2-phenoxypropanamide
CID 95900718
2-(4-acetylphenoxy)-N-(cyclohexylmethyl)propanamide
CID 4883415
[(2S)-1-(cyclohexylmethylamino)-1-oxopropan-2-yl] 2-(4-chlorophenoxy)acetate
CID 7750592
2-(4-chlorophenoxy)-N-[3-[2-(4-chlorophenoxy)propanoylamino]propyl]propanamide
CID 4944309
(2S)-N-(cyclopropylmethyl)-2-(3,4-difluorophenoxy)propanamide
CID 95160340
(2S)-N-(cyclohexylmethyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide
CID 100566102
(2R)-N-(cyclohexylmethyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide
CID 100566093
2-(4-chlorophenoxy)-N-cyclobutyloxypropanamide
CID 155413533
(2R)-2-(4-chlorophenoxy)-N-(cyclohexylcarbamoyl)propanamide
CID 7816268
methyl 2-[2-(4-chlorophenoxy)propanoylamino]acetate
CID 43404771
2-(4-chlorophenoxy)-N-[2-(propanoylamino)ethyl]propanamide
CID 108541480

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-(cyclohexylmethyl)propanamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-(cyclohexylmethyl)propanamide (CID 133164152) is 2-(4-chlorophenoxy)-N-(cyclohexylmethyl)propanamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-(cyclohexylmethyl)propanamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-(cyclohexylmethyl)propanamide is CC(Oc1ccc(Cl)cc1)C(=O)NCC1CCCCC1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-(cyclohexylmethyl)propanamide?
The InChIKey is GTIXXJFAIRRJTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNO2/c1-12(20-15-9-7-14(17)8-10-15)16(19)18-11-13-5-3-2-4-6-13/h7-10,12-13H,2-6,11H2,1H3,(H,18,19).
What are the key properties of 2-(4-chlorophenoxy)-N-(cyclohexylmethyl)propanamide?
2-(4-chlorophenoxy)-N-(cyclohexylmethyl)propanamide has a molecular weight of 295.81 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-(cyclohexylmethyl)propanamide is sourced from PubChem (CID 133164152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).