2-(4-chlorophenoxy)-N-(4-ethylphenyl)-2-methylpropanamide

C18H20ClNO2 — CID 887329

IUPAC2-(4-chlorophenoxy)-N-(4-ethylphenyl)-2-methylpropanamide
SMILESCCc1ccc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H20ClNO2/c1-4-13-5-9-15(10-6-13)20-17(21)18(2,3)22-16-11-7-14(19)8-12-16/h5-12H,4H2,1-3H3,(H,20,21)
InChIKeyFODQLIDWMYUUCZ-UHFFFAOYSA-N
MW317.82 g/mol
LogP4.70
Rot. Bonds5

About 2-(4-chlorophenoxy)-N-(4-ethylphenyl)-2-methylpropanamide

2-(4-chlorophenoxy)-N-(4-ethylphenyl)-2-methylpropanamide (PubChem CID 887329) has the molecular formula C18H20ClNO2 and a molecular weight of 317.82 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-(4-ethylphenyl)-2-methylpropanamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-(4-ethylphenyl)-2-methylpropanamide
PubChem CID887329
Molecular FormulaC18H20ClNO2
Molecular Weight317.82 g/mol
Exact Mass317.12
IUPAC Name2-(4-chlorophenoxy)-N-(4-ethylphenyl)-2-methylpropanamide
SMILESCCc1ccc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H20ClNO2/c1-4-13-5-9-15(10-6-13)20-17(21)18(2,3)22-16-11-7-14(19)8-12-16/h5-12H,4H2,1-3H3,(H,20,21)
InChIKeyFODQLIDWMYUUCZ-UHFFFAOYSA-N
XLogP4.70
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.82
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]benzamide
CID 888392
[(2S)-1-(4-ethylanilino)-1-oxopropan-2-yl] 2-(4-chlorophenoxy)-2-methylpropanoate
CID 7762659
4-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]-N-methylbenzamide
CID 2679907
2-(4-chlorophenoxy)-N-(3,5-dimethoxyphenyl)-2-methylpropanamide
CID 848261
2-(4-chlorophenoxy)-N-[(4-chlorophenyl)methyl]-2-methylpropanamide
CID 2597715
2-(4-chlorophenoxy)-N-[4-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]phenyl]-2-methylpropanamide
CID 17335046
N-[(4-chlorophenyl)methyl]-N'-(4-ethylphenyl)-2,2-dimethylpropanediamide
CID 108962820
N-[4-(butanoylamino)-3-chlorophenyl]-2-(4-chlorophenoxy)-2-methylpropanamide
CID 30309064
2-(4-chlorophenoxy)-N-methoxy-2-methylpropanamide
CID 51279285
2-(4-chlorophenyl)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 2678277
2-(4-chlorophenoxy)-2-methyl-N-[4-(phenylsulfamoyl)phenyl]propanamide
CID 100518219
N-[2-(4-chlorophenyl)ethyl]-N'-(4-ethylphenyl)-2,2-dimethylpropanediamide
CID 108965059

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-(4-ethylphenyl)-2-methylpropanamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-(4-ethylphenyl)-2-methylpropanamide (CID 887329) is 2-(4-chlorophenoxy)-N-(4-ethylphenyl)-2-methylpropanamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-(4-ethylphenyl)-2-methylpropanamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-(4-ethylphenyl)-2-methylpropanamide is CCc1ccc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)cc1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-(4-ethylphenyl)-2-methylpropanamide?
The InChIKey is FODQLIDWMYUUCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO2/c1-4-13-5-9-15(10-6-13)20-17(21)18(2,3)22-16-11-7-14(19)8-12-16/h5-12H,4H2,1-3H3,(H,20,21).
What are the key properties of 2-(4-chlorophenoxy)-N-(4-ethylphenyl)-2-methylpropanamide?
2-(4-chlorophenoxy)-N-(4-ethylphenyl)-2-methylpropanamide has a molecular weight of 317.82 g/mol, XLogP of 4.70, 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-(4-ethylphenyl)-2-methylpropanamide is sourced from PubChem (CID 887329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).