2-(4-chlorophenoxy)-N-[(4-cyanophenyl)methyl]-2-methylpropanamide

C18H17ClN2O2 — CID 134035338

IUPAC2-(4-chlorophenoxy)-N-[(4-cyanophenyl)methyl]-2-methylpropanamide
SMILESCC(C)(Oc1ccc(Cl)cc1)C(=O)NCc1ccc(C#N)cc1
InChIInChI=1S/C18H17ClN2O2/c1-18(2,23-16-9-7-15(19)8-10-16)17(22)21-12-14-5-3-13(11-20)4-6-14/h3-10H,12H2,1-2H3,(H,21,22)
InChIKeyZVBXWEJAYVJFFP-UHFFFAOYSA-N
MW328.80 g/mol
LogP3.69
Rot. Bonds5

About 2-(4-chlorophenoxy)-N-[(4-cyanophenyl)methyl]-2-methylpropanamide

2-(4-chlorophenoxy)-N-[(4-cyanophenyl)methyl]-2-methylpropanamide (PubChem CID 134035338) has the molecular formula C18H17ClN2O2 and a molecular weight of 328.80 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[(4-cyanophenyl)methyl]-2-methylpropanamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[(4-cyanophenyl)methyl]-2-methylpropanamide
PubChem CID134035338
Molecular FormulaC18H17ClN2O2
Molecular Weight328.80 g/mol
Exact Mass328.10
IUPAC Name2-(4-chlorophenoxy)-N-[(4-cyanophenyl)methyl]-2-methylpropanamide
SMILESCC(C)(Oc1ccc(Cl)cc1)C(=O)NCc1ccc(C#N)cc1
InChIInChI=1S/C18H17ClN2O2/c1-18(2,23-16-9-7-15(19)8-10-16)17(22)21-12-14-5-3-13(11-20)4-6-14/h3-10H,12H2,1-2H3,(H,21,22)
InChIKeyZVBXWEJAYVJFFP-UHFFFAOYSA-N
XLogP3.69
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.80
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenoxy)-N-[(4-chlorophenyl)methyl]-2-methylpropanamide
CID 2597715
4-[[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]methyl]benzoic acid
CID 28677125
2-[4-(4-chlorobenzoyl)phenoxy]-2-methyl-N-(pyridin-4-ylmethyl)propanamide
CID 154646142
2-(4-chlorophenoxy)-N-[(6-methoxy-3-pyridinyl)methyl]-2-methylpropanamide
CID 51303948
2-(4-chlorophenoxy)-N-[4-(4-cyanophenyl)-3-phenylbutan-2-yl]-2-methylpropanamide
CID 10216927
N-[(2S,3S)-4-(4-chlorophenyl)-3-phenylbutan-2-yl]-2-(4-cyanophenoxy)-2-methylpropanamide
CID 23404717
N-[(2S)-4-(4-chlorophenyl)-3-phenylbutan-2-yl]-2-(4-cyanophenoxy)-2-methylpropanamide
CID 142807524
2-(4-chlorophenyl)-N-[(4-cyanophenyl)methyl]acetamide
CID 46587399
[4-(4-cyanophenyl)phenyl] 2-(4-chlorophenoxy)-2-methylpropanoate
CID 3602953
N-[(4-cyanophenyl)methyl]-2-methyl-2-(methylamino)propanamide
CID 62847790
2-(4-chlorophenoxy)-2-methyl-N-[2-(4-propylphenoxy)ethyl]propanamide
CID 100519506
3-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]propanoic acid
CID 43092383

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[(4-cyanophenyl)methyl]-2-methylpropanamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[(4-cyanophenyl)methyl]-2-methylpropanamide (CID 134035338) is 2-(4-chlorophenoxy)-N-[(4-cyanophenyl)methyl]-2-methylpropanamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[(4-cyanophenyl)methyl]-2-methylpropanamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[(4-cyanophenyl)methyl]-2-methylpropanamide is CC(C)(Oc1ccc(Cl)cc1)C(=O)NCc1ccc(C#N)cc1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[(4-cyanophenyl)methyl]-2-methylpropanamide?
The InChIKey is ZVBXWEJAYVJFFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O2/c1-18(2,23-16-9-7-15(19)8-10-16)17(22)21-12-14-5-3-13(11-20)4-6-14/h3-10H,12H2,1-2H3,(H,21,22).
What are the key properties of 2-(4-chlorophenoxy)-N-[(4-cyanophenyl)methyl]-2-methylpropanamide?
2-(4-chlorophenoxy)-N-[(4-cyanophenyl)methyl]-2-methylpropanamide has a molecular weight of 328.80 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[(4-cyanophenyl)methyl]-2-methylpropanamide is sourced from PubChem (CID 134035338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).