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

C17H17Cl2NO2 — CID 2597715

IUPAC2-(4-chlorophenoxy)-N-[(4-chlorophenyl)methyl]-2-methylpropanamide
SMILESCC(C)(Oc1ccc(Cl)cc1)C(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C17H17Cl2NO2/c1-17(2,22-15-9-7-14(19)8-10-15)16(21)20-11-12-3-5-13(18)6-4-12/h3-10H,11H2,1-2H3,(H,20,21)
InChIKeyBXPAHNWKDWCGSZ-UHFFFAOYSA-N
MW338.23 g/mol
LogP4.47
Rot. Bonds5

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

2-(4-chlorophenoxy)-N-[(4-chlorophenyl)methyl]-2-methylpropanamide (PubChem CID 2597715) has the molecular formula C17H17Cl2NO2 and a molecular weight of 338.23 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[(4-chlorophenyl)methyl]-2-methylpropanamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[(4-chlorophenyl)methyl]-2-methylpropanamide
PubChem CID2597715
Molecular FormulaC17H17Cl2NO2
Molecular Weight338.23 g/mol
Exact Mass337.06
IUPAC Name2-(4-chlorophenoxy)-N-[(4-chlorophenyl)methyl]-2-methylpropanamide
SMILESCC(C)(Oc1ccc(Cl)cc1)C(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C17H17Cl2NO2/c1-17(2,22-15-9-7-14(19)8-10-15)16(21)20-11-12-3-5-13(18)6-4-12/h3-10H,11H2,1-2H3,(H,20,21)
InChIKeyBXPAHNWKDWCGSZ-UHFFFAOYSA-N
XLogP4.47
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.23
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]methyl]benzoic acid
CID 28677125
2-(4-chlorophenoxy)-N-[(4-cyanophenyl)methyl]-2-methylpropanamide
CID 134035338
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
3-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]propanoic acid
CID 43092383
N-(2-aminoethyl)-2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanamide
CID 58219036
2-[4-(4-chlorobenzoyl)phenoxy]-N-(2-hydroxyethyl)-2-methylpropanamide
CID 154646221
2-(4-chlorophenoxy)-N-(6-hydroxyhexyl)-2-methylpropanamide
CID 103919455
2-(4-chlorophenoxy)-N-(4-ethylphenyl)-2-methylpropanamide
CID 887329
2-(4-chlorophenoxy)-2-methyl-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]propanamide
CID 121022514
2-(4-chlorophenoxy)-2-methyl-N-[(1-methylimidazol-2-yl)methyl]propanamide
CID 110441416
2-(4-chlorophenoxy)-2-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propanamide
CID 51315956

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[(4-chlorophenyl)methyl]-2-methylpropanamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[(4-chlorophenyl)methyl]-2-methylpropanamide (CID 2597715) is 2-(4-chlorophenoxy)-N-[(4-chlorophenyl)methyl]-2-methylpropanamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[(4-chlorophenyl)methyl]-2-methylpropanamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[(4-chlorophenyl)methyl]-2-methylpropanamide is CC(C)(Oc1ccc(Cl)cc1)C(=O)NCc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[(4-chlorophenyl)methyl]-2-methylpropanamide?
The InChIKey is BXPAHNWKDWCGSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2NO2/c1-17(2,22-15-9-7-14(19)8-10-15)16(21)20-11-12-3-5-13(18)6-4-12/h3-10H,11H2,1-2H3,(H,20,21).
What are the key properties of 2-(4-chlorophenoxy)-N-[(4-chlorophenyl)methyl]-2-methylpropanamide?
2-(4-chlorophenoxy)-N-[(4-chlorophenyl)methyl]-2-methylpropanamide has a molecular weight of 338.23 g/mol, XLogP of 4.47, 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-chlorophenyl)methyl]-2-methylpropanamide is sourced from PubChem (CID 2597715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).