N-[(2,4-dichlorophenyl)methyl]-3-(4-methylphenoxy)propanamide

C17H17Cl2NO2 — CID 2712591

IUPACN-[(2,4-dichlorophenyl)methyl]-3-(4-methylphenoxy)propanamide
SMILESCc1ccc(OCCC(=O)NCc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C17H17Cl2NO2/c1-12-2-6-15(7-3-12)22-9-8-17(21)20-11-13-4-5-14(18)10-16(13)19/h2-7,10H,8-9,11H2,1H3,(H,20,21)
InChIKeyXZQGFZMKHMENMA-UHFFFAOYSA-N
MW338.23 g/mol
LogP4.39
Rot. Bonds6

About N-[(2,4-dichlorophenyl)methyl]-3-(4-methylphenoxy)propanamide

N-[(2,4-dichlorophenyl)methyl]-3-(4-methylphenoxy)propanamide (PubChem CID 2712591) has the molecular formula C17H17Cl2NO2 and a molecular weight of 338.23 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methyl]-3-(4-methylphenoxy)propanamide.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methyl]-3-(4-methylphenoxy)propanamide
PubChem CID2712591
Molecular FormulaC17H17Cl2NO2
Molecular Weight338.23 g/mol
Exact Mass337.06
IUPAC NameN-[(2,4-dichlorophenyl)methyl]-3-(4-methylphenoxy)propanamide
SMILESCc1ccc(OCCC(=O)NCc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C17H17Cl2NO2/c1-12-2-6-15(7-3-12)22-9-8-17(21)20-11-13-4-5-14(18)10-16(13)19/h2-7,10H,8-9,11H2,1H3,(H,20,21)
InChIKeyXZQGFZMKHMENMA-UHFFFAOYSA-N
XLogP4.39
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.23
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2,4-dichlorophenyl)methyl]-3-(3-methylphenoxy)propanamide
CID 2446420
2-(2,4-dichlorophenyl)-N-[[4-(2-methoxyethoxy)phenyl]methyl]acetamide
CID 55662831
N-(4-chloro-2-methylphenyl)-3-(4-methylphenoxy)propanamide
CID 7914785
N-[(2,4-dichlorophenyl)methyl]-2-(2,4,6-trimethylphenoxy)acetamide
CID 7927947
N-[(2,4-dichlorophenyl)methyl]-2-[(4-methylphenyl)methylcarbamoylamino]acetamide
CID 26018842
N-[(2,4-dichlorophenyl)methyl]-2-(4-methylphenoxy)butanamide
CID 54776466
N-[(5-chloro-2-methoxyphenyl)methyl]-3-phenoxypropanamide
CID 110780278
N-[(2,4-dichlorophenyl)methyl]-2-(4-propanoylphenoxy)acetamide
CID 2710388
N-[(2,4-dichlorophenyl)methyl]-3-(3,5-dimethoxyphenyl)propanamide
CID 9082319
N-[(3-chloro-4-fluorophenyl)methyl]-3-(4-chlorophenoxy)propanamide
CID 60621030
N-[(2,4-dichlorophenyl)methyl]-2-(3,5-dimethoxyphenoxy)acetamide
CID 7713902
N-[(2,4-dichlorophenyl)methyl]-2-iodoacetamide
CID 70030657

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)methyl]-3-(4-methylphenoxy)propanamide?
The IUPAC name of N-[(2,4-dichlorophenyl)methyl]-3-(4-methylphenoxy)propanamide (CID 2712591) is N-[(2,4-dichlorophenyl)methyl]-3-(4-methylphenoxy)propanamide.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methyl]-3-(4-methylphenoxy)propanamide?
The canonical SMILES for N-[(2,4-dichlorophenyl)methyl]-3-(4-methylphenoxy)propanamide is Cc1ccc(OCCC(=O)NCc2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of N-[(2,4-dichlorophenyl)methyl]-3-(4-methylphenoxy)propanamide?
The InChIKey is XZQGFZMKHMENMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2NO2/c1-12-2-6-15(7-3-12)22-9-8-17(21)20-11-13-4-5-14(18)10-16(13)19/h2-7,10H,8-9,11H2,1H3,(H,20,21).
What are the key properties of N-[(2,4-dichlorophenyl)methyl]-3-(4-methylphenoxy)propanamide?
N-[(2,4-dichlorophenyl)methyl]-3-(4-methylphenoxy)propanamide has a molecular weight of 338.23 g/mol, XLogP of 4.39, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorophenyl)methyl]-3-(4-methylphenoxy)propanamide is sourced from PubChem (CID 2712591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).