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

C17H17Cl2NO2 — CID 2446420

IUPACN-[(2,4-dichlorophenyl)methyl]-3-(3-methylphenoxy)propanamide
SMILESCc1cccc(OCCC(=O)NCc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C17H17Cl2NO2/c1-12-3-2-4-15(9-12)22-8-7-17(21)20-11-13-5-6-14(18)10-16(13)19/h2-6,9-10H,7-8,11H2,1H3,(H,20,21)
InChIKeyFJHRBNCXNWCGIH-UHFFFAOYSA-N
MW338.23 g/mol
LogP4.39
Rot. Bonds6

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

N-[(2,4-dichlorophenyl)methyl]-3-(3-methylphenoxy)propanamide (PubChem CID 2446420) has the molecular formula C17H17Cl2NO2 and a molecular weight of 338.23 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methyl]-3-(3-methylphenoxy)propanamide.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methyl]-3-(3-methylphenoxy)propanamide
PubChem CID2446420
Molecular FormulaC17H17Cl2NO2
Molecular Weight338.23 g/mol
Exact Mass337.06
IUPAC NameN-[(2,4-dichlorophenyl)methyl]-3-(3-methylphenoxy)propanamide
SMILESCc1cccc(OCCC(=O)NCc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C17H17Cl2NO2/c1-12-3-2-4-15(9-12)22-8-7-17(21)20-11-13-5-6-14(18)10-16(13)19/h2-6,9-10H,7-8,11H2,1H3,(H,20,21)
InChIKeyFJHRBNCXNWCGIH-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-(4-methylphenoxy)propanamide
CID 2712591
N-ethyl-3-(3-methylphenoxy)propanamide
CID 2129235
2-(4-chloro-2-fluorophenyl)-N-[2-(3-methylphenoxy)ethyl]acetamide
CID 100547759
N-(4-chlorophenyl)-3-(3-methylphenoxy)propanamide
CID 7965845
1-[(2-chlorophenyl)methyl]-3-[2-(3-methylphenoxy)ethyl]urea
CID 112969922
N-[2-(methylamino)ethyl]-3-(3-methylphenoxy)propanamide
CID 62659653
[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] 2-(3-chlorophenoxy)acetate
CID 7803716
N-[(5-chloro-2-methoxyphenyl)methyl]-3-phenoxypropanamide
CID 110780278
N-[2-(2-aminoethoxy)ethyl]-3-(3-methylphenoxy)propanamide
CID 63755365
N-[(2,4-dichlorophenyl)methyl]-2-(2,4,6-trimethylphenoxy)acetamide
CID 7927947
4-(4-chlorophenyl)-N-[3-(3-methylphenoxy)propyl]-4-oxobutanamide
CID 27039880
N-[(2,4-dichlorophenyl)methyl]-2-[4-[(3-methylphenyl)sulfamoyl]phenoxy]acetamide
CID 4291684

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)methyl]-3-(3-methylphenoxy)propanamide?
The IUPAC name of N-[(2,4-dichlorophenyl)methyl]-3-(3-methylphenoxy)propanamide (CID 2446420) is N-[(2,4-dichlorophenyl)methyl]-3-(3-methylphenoxy)propanamide.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methyl]-3-(3-methylphenoxy)propanamide?
The canonical SMILES for N-[(2,4-dichlorophenyl)methyl]-3-(3-methylphenoxy)propanamide is Cc1cccc(OCCC(=O)NCc2ccc(Cl)cc2Cl)c1.
What is the InChIKey of N-[(2,4-dichlorophenyl)methyl]-3-(3-methylphenoxy)propanamide?
The InChIKey is FJHRBNCXNWCGIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2NO2/c1-12-3-2-4-15(9-12)22-8-7-17(21)20-11-13-5-6-14(18)10-16(13)19/h2-6,9-10H,7-8,11H2,1H3,(H,20,21).
What are the key properties of N-[(2,4-dichlorophenyl)methyl]-3-(3-methylphenoxy)propanamide?
N-[(2,4-dichlorophenyl)methyl]-3-(3-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-(3-methylphenoxy)propanamide is sourced from PubChem (CID 2446420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).