3-(4-chlorophenyl)-N-[2-[[2-(2,4-dichlorophenoxy)acetyl]amino]ethyl]propanamide

C19H19Cl3N2O3 — CID 108541625

IUPAC3-(4-chlorophenyl)-N-[2-[[2-(2,4-dichlorophenoxy)acetyl]amino]ethyl]propanamide
SMILESO=C(CCc1ccc(Cl)cc1)NCCNC(=O)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C19H19Cl3N2O3/c20-14-4-1-13(2-5-14)3-8-18(25)23-9-10-24-19(26)12-27-17-7-6-15(21)11-16(17)22/h1-2,4-7,11H,3,8-10,12H2,(H,23,25)(H,24,26)
InChIKeyZZUVSNSYWZKPPB-UHFFFAOYSA-N
MW429.73 g/mol
LogP3.89
Rot. Bonds9

About 3-(4-chlorophenyl)-N-[2-[[2-(2,4-dichlorophenoxy)acetyl]amino]ethyl]propanamide

3-(4-chlorophenyl)-N-[2-[[2-(2,4-dichlorophenoxy)acetyl]amino]ethyl]propanamide (PubChem CID 108541625) has the molecular formula C19H19Cl3N2O3 and a molecular weight of 429.73 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-[2-[[2-(2,4-dichlorophenoxy)acetyl]amino]ethyl]propanamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-[2-[[2-(2,4-dichlorophenoxy)acetyl]amino]ethyl]propanamide
PubChem CID108541625
Molecular FormulaC19H19Cl3N2O3
Molecular Weight429.73 g/mol
Exact Mass428.05
IUPAC Name3-(4-chlorophenyl)-N-[2-[[2-(2,4-dichlorophenoxy)acetyl]amino]ethyl]propanamide
SMILESO=C(CCc1ccc(Cl)cc1)NCCNC(=O)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C19H19Cl3N2O3/c20-14-4-1-13(2-5-14)3-8-18(25)23-9-10-24-19(26)12-27-17-7-6-15(21)11-16(17)22/h1-2,4-7,11H,3,8-10,12H2,(H,23,25)(H,24,26)
InChIKeyZZUVSNSYWZKPPB-UHFFFAOYSA-N
XLogP3.89
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.73
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-acetamidoethyl)-2-(2,4-dichlorophenoxy)acetamide
CID 7942051
2-(2,4-dichlorophenoxy)-N-[3-(4-fluorophenyl)propyl]acetamide
CID 99993663
N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-2-(2,4-dichlorophenoxy)acetamide
CID 2283224
N-benzyl-3-[[2-(2,4-dichlorophenoxy)acetyl]amino]propanamide
CID 60608572
2-(2,4-dichlorophenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 1101338
ethyl 3-[[2-(2,4-dichlorophenoxy)acetyl]amino]propanoate
CID 47437686
2-(2,4-dichlorophenoxy)-N-[2-(diethylcarbamoylamino)ethyl]acetamide
CID 108572858
2-(2,4-dichlorophenoxy)-N-(6-oxohexyl)acetamide
CID 89195114
2-(2,4-dichlorophenoxy)-N-[3-(4-propan-2-yloxyphenyl)propyl]acetamide
CID 99993692
N-(3-aminooxypropyl)-2-(2,4-dichlorophenoxy)acetamide
CID 39401573
2-(2,4-dichlorophenoxy)-N-octylacetamide
CID 4555196
propan-2-yl 3-[[2-(2,4-dichlorophenoxy)acetyl]amino]propanoate
CID 51256307

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-[2-[[2-(2,4-dichlorophenoxy)acetyl]amino]ethyl]propanamide?
The IUPAC name of 3-(4-chlorophenyl)-N-[2-[[2-(2,4-dichlorophenoxy)acetyl]amino]ethyl]propanamide (CID 108541625) is 3-(4-chlorophenyl)-N-[2-[[2-(2,4-dichlorophenoxy)acetyl]amino]ethyl]propanamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-[2-[[2-(2,4-dichlorophenoxy)acetyl]amino]ethyl]propanamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-[2-[[2-(2,4-dichlorophenoxy)acetyl]amino]ethyl]propanamide is O=C(CCc1ccc(Cl)cc1)NCCNC(=O)COc1ccc(Cl)cc1Cl.
What is the InChIKey of 3-(4-chlorophenyl)-N-[2-[[2-(2,4-dichlorophenoxy)acetyl]amino]ethyl]propanamide?
The InChIKey is ZZUVSNSYWZKPPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl3N2O3/c20-14-4-1-13(2-5-14)3-8-18(25)23-9-10-24-19(26)12-27-17-7-6-15(21)11-16(17)22/h1-2,4-7,11H,3,8-10,12H2,(H,23,25)(H,24,26).
What are the key properties of 3-(4-chlorophenyl)-N-[2-[[2-(2,4-dichlorophenoxy)acetyl]amino]ethyl]propanamide?
3-(4-chlorophenyl)-N-[2-[[2-(2,4-dichlorophenoxy)acetyl]amino]ethyl]propanamide has a molecular weight of 429.73 g/mol, XLogP of 3.89, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-[2-[[2-(2,4-dichlorophenoxy)acetyl]amino]ethyl]propanamide is sourced from PubChem (CID 108541625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).