N-[(2-chlorophenyl)methyl]-2-(2,4-dichlorophenoxy)propanamide

C16H14Cl3NO2 — CID 3120265

IUPACN-[(2-chlorophenyl)methyl]-2-(2,4-dichlorophenoxy)propanamide
SMILESCC(Oc1ccc(Cl)cc1Cl)C(=O)NCc1ccccc1Cl
InChIInChI=1S/C16H14Cl3NO2/c1-10(22-15-7-6-12(17)8-14(15)19)16(21)20-9-11-4-2-3-5-13(11)18/h2-8,10H,9H2,1H3,(H,20,21)
InChIKeyCKTXOZYOTXHUAI-UHFFFAOYSA-N
MW358.65 g/mol
LogP4.73
Rot. Bonds5

About N-[(2-chlorophenyl)methyl]-2-(2,4-dichlorophenoxy)propanamide

N-[(2-chlorophenyl)methyl]-2-(2,4-dichlorophenoxy)propanamide (PubChem CID 3120265) has the molecular formula C16H14Cl3NO2 and a molecular weight of 358.65 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2-(2,4-dichlorophenoxy)propanamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2-(2,4-dichlorophenoxy)propanamide
PubChem CID3120265
Molecular FormulaC16H14Cl3NO2
Molecular Weight358.65 g/mol
Exact Mass357.01
IUPAC NameN-[(2-chlorophenyl)methyl]-2-(2,4-dichlorophenoxy)propanamide
SMILESCC(Oc1ccc(Cl)cc1Cl)C(=O)NCc1ccccc1Cl
InChIInChI=1S/C16H14Cl3NO2/c1-10(22-15-7-6-12(17)8-14(15)19)16(21)20-9-11-4-2-3-5-13(11)18/h2-8,10H,9H2,1H3,(H,20,21)
InChIKeyCKTXOZYOTXHUAI-UHFFFAOYSA-N
XLogP4.73
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.65
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-2-(2,4-dichlorophenoxy)propanamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-2-(2,4-dichlorophenoxy)propanamide (CID 3120265) is N-[(2-chlorophenyl)methyl]-2-(2,4-dichlorophenoxy)propanamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2-(2,4-dichlorophenoxy)propanamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-2-(2,4-dichlorophenoxy)propanamide is CC(Oc1ccc(Cl)cc1Cl)C(=O)NCc1ccccc1Cl.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2-(2,4-dichlorophenoxy)propanamide?
The InChIKey is CKTXOZYOTXHUAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl3NO2/c1-10(22-15-7-6-12(17)8-14(15)19)16(21)20-9-11-4-2-3-5-13(11)18/h2-8,10H,9H2,1H3,(H,20,21).
What are the key properties of N-[(2-chlorophenyl)methyl]-2-(2,4-dichlorophenoxy)propanamide?
N-[(2-chlorophenyl)methyl]-2-(2,4-dichlorophenoxy)propanamide has a molecular weight of 358.65 g/mol, XLogP of 4.73, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-2-(2,4-dichlorophenoxy)propanamide is sourced from PubChem (CID 3120265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).