N-[(2,4-dichlorophenyl)methyl]-2-(4-propanoylphenoxy)acetamide

C18H17Cl2NO3 — CID 2710388

IUPACN-[(2,4-dichlorophenyl)methyl]-2-(4-propanoylphenoxy)acetamide
SMILESCCC(=O)c1ccc(OCC(=O)NCc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C18H17Cl2NO3/c1-2-17(22)12-4-7-15(8-5-12)24-11-18(23)21-10-13-3-6-14(19)9-16(13)20/h3-9H,2,10-11H2,1H3,(H,21,23)
InChIKeyYWTSMADNLZAVTD-UHFFFAOYSA-N
MW366.24 g/mol
LogP4.28
Rot. Bonds7

About N-[(2,4-dichlorophenyl)methyl]-2-(4-propanoylphenoxy)acetamide

N-[(2,4-dichlorophenyl)methyl]-2-(4-propanoylphenoxy)acetamide (PubChem CID 2710388) has the molecular formula C18H17Cl2NO3 and a molecular weight of 366.24 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methyl]-2-(4-propanoylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methyl]-2-(4-propanoylphenoxy)acetamide
PubChem CID2710388
Molecular FormulaC18H17Cl2NO3
Molecular Weight366.24 g/mol
Exact Mass365.06
IUPAC NameN-[(2,4-dichlorophenyl)methyl]-2-(4-propanoylphenoxy)acetamide
SMILESCCC(=O)c1ccc(OCC(=O)NCc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C18H17Cl2NO3/c1-2-17(22)12-4-7-15(8-5-12)24-11-18(23)21-10-13-3-6-14(19)9-16(13)20/h3-9H,2,10-11H2,1H3,(H,21,23)
InChIKeyYWTSMADNLZAVTD-UHFFFAOYSA-N
XLogP4.28
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.24
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2,4-dichlorophenyl)methyl]-2-(3,5-dimethoxyphenoxy)acetamide
CID 7713902
2-(2,4-dichlorophenyl)-1-(4-ethoxyphenyl)ethanone
CID 63411878
N-[(2,4-dichlorophenyl)methyl]-2-[4-(propan-2-ylsulfamoyl)phenoxy]acetamide
CID 126128096
N-[(2,4-dichlorophenyl)methyl]-2-[4-(tetrazol-1-yl)phenoxy]acetamide
CID 2709053
[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-(4-propanoylphenoxy)acetate
CID 7855139
N-[(2,4-dichlorophenyl)methyl]-2-(2,4,6-trimethylphenoxy)acetamide
CID 7927947
[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] 4-(difluoromethoxy)benzoate
CID 2612438
N-[(2,4-dichlorophenyl)methyl]-3-(4-methylphenoxy)propanamide
CID 2712591
N-[(2,4-dichlorophenyl)methyl]-2-iodoacetamide
CID 70030657
N-[(2-chlorophenyl)methyl]-2-(4-ethoxyphenoxy)acetamide
CID 7639773
N-[(2,4-dichlorophenyl)methyl]-2-[4-[(3-methylphenyl)sulfamoyl]phenoxy]acetamide
CID 4291684
[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] 2-(3-chlorophenoxy)acetate
CID 7803716

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)methyl]-2-(4-propanoylphenoxy)acetamide?
The IUPAC name of N-[(2,4-dichlorophenyl)methyl]-2-(4-propanoylphenoxy)acetamide (CID 2710388) is N-[(2,4-dichlorophenyl)methyl]-2-(4-propanoylphenoxy)acetamide.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methyl]-2-(4-propanoylphenoxy)acetamide?
The canonical SMILES for N-[(2,4-dichlorophenyl)methyl]-2-(4-propanoylphenoxy)acetamide is CCC(=O)c1ccc(OCC(=O)NCc2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of N-[(2,4-dichlorophenyl)methyl]-2-(4-propanoylphenoxy)acetamide?
The InChIKey is YWTSMADNLZAVTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2NO3/c1-2-17(22)12-4-7-15(8-5-12)24-11-18(23)21-10-13-3-6-14(19)9-16(13)20/h3-9H,2,10-11H2,1H3,(H,21,23).
What are the key properties of N-[(2,4-dichlorophenyl)methyl]-2-(4-propanoylphenoxy)acetamide?
N-[(2,4-dichlorophenyl)methyl]-2-(4-propanoylphenoxy)acetamide has a molecular weight of 366.24 g/mol, XLogP of 4.28, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorophenyl)methyl]-2-(4-propanoylphenoxy)acetamide is sourced from PubChem (CID 2710388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).