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

C19H20Cl2N2O5 — CID 108539886

IUPACN-[2-[[2-(2,4-dichlorophenoxy)acetyl]amino]ethyl]-2-(4-hydroxyphenoxy)propanamide
SMILESCC(Oc1ccc(O)cc1)C(=O)NCCNC(=O)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C19H20Cl2N2O5/c1-12(28-15-5-3-14(24)4-6-15)19(26)23-9-8-22-18(25)11-27-17-7-2-13(20)10-16(17)21/h2-7,10,12,24H,8-9,11H2,1H3,(H,22,25)(H,23,26)
InChIKeyBRDWSOHJDGYUGN-UHFFFAOYSA-N
MW427.28 g/mol
LogP2.78
Rot. Bonds9

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

N-[2-[[2-(2,4-dichlorophenoxy)acetyl]amino]ethyl]-2-(4-hydroxyphenoxy)propanamide (PubChem CID 108539886) has the molecular formula C19H20Cl2N2O5 and a molecular weight of 427.28 g/mol. Its IUPAC name is N-[2-[[2-(2,4-dichlorophenoxy)acetyl]amino]ethyl]-2-(4-hydroxyphenoxy)propanamide.

Molecular Properties

Compound NameN-[2-[[2-(2,4-dichlorophenoxy)acetyl]amino]ethyl]-2-(4-hydroxyphenoxy)propanamide
PubChem CID108539886
Molecular FormulaC19H20Cl2N2O5
Molecular Weight427.28 g/mol
Exact Mass426.07
IUPAC NameN-[2-[[2-(2,4-dichlorophenoxy)acetyl]amino]ethyl]-2-(4-hydroxyphenoxy)propanamide
SMILESCC(Oc1ccc(O)cc1)C(=O)NCCNC(=O)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C19H20Cl2N2O5/c1-12(28-15-5-3-14(24)4-6-15)19(26)23-9-8-22-18(25)11-27-17-7-2-13(20)10-16(17)21/h2-7,10,12,24H,8-9,11H2,1H3,(H,22,25)(H,23,26)
InChIKeyBRDWSOHJDGYUGN-UHFFFAOYSA-N
XLogP2.78
TPSA96.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.28
LogP ≤ 52.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2,4-dichlorophenoxy)-N'-[2-(2,4-dichlorophenoxy)acetyl]propanehydrazide
CID 3120230
N-(2-acetamidoethyl)-2-(2,4-dichlorophenoxy)acetamide
CID 7942051
2-(2,4-dichlorophenoxy)-N-[3-(4-propan-2-yloxyphenyl)propyl]acetamide
CID 99993692
N'-[2-(2,4-dichlorophenoxy)acetyl]-2-(3-methylphenoxy)propanehydrazide
CID 5162800
2-(4-chlorophenoxy)-N-[2-[[2-(2,3,6-trimethylphenoxy)acetyl]amino]ethyl]propanamide
CID 108541454
(2R)-2-(2,4-dichlorophenoxy)-N'-[2-(4-methylphenoxy)acetyl]propanehydrazide
CID 7728372
N'-[2-(2,4-dichlorophenoxy)acetyl]-4-propan-2-yloxybenzohydrazide
CID 4952085
N'-[2-(4-bromo-2-chlorophenoxy)acetyl]-2-(2,4-dichlorophenoxy)propanehydrazide
CID 4632856
propan-2-yl 3-[[2-(2,4-dichlorophenoxy)acetyl]amino]propanoate
CID 51256307
N'-[2-(2-bromo-4-chlorophenoxy)acetyl]-2-(2,4-dichlorophenoxy)propanehydrazide
CID 3354989
2-(4-chlorophenoxy)-N-[2-(propanoylamino)ethyl]propanamide
CID 108541480
N'-[2-(4-bromophenoxy)acetyl]-2-(2,4-dichlorophenoxy)propanehydrazide
CID 3499331

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(2,4-dichlorophenoxy)acetyl]amino]ethyl]-2-(4-hydroxyphenoxy)propanamide?
The IUPAC name of N-[2-[[2-(2,4-dichlorophenoxy)acetyl]amino]ethyl]-2-(4-hydroxyphenoxy)propanamide (CID 108539886) is N-[2-[[2-(2,4-dichlorophenoxy)acetyl]amino]ethyl]-2-(4-hydroxyphenoxy)propanamide.
What is the SMILES notation for N-[2-[[2-(2,4-dichlorophenoxy)acetyl]amino]ethyl]-2-(4-hydroxyphenoxy)propanamide?
The canonical SMILES for N-[2-[[2-(2,4-dichlorophenoxy)acetyl]amino]ethyl]-2-(4-hydroxyphenoxy)propanamide is CC(Oc1ccc(O)cc1)C(=O)NCCNC(=O)COc1ccc(Cl)cc1Cl.
What is the InChIKey of N-[2-[[2-(2,4-dichlorophenoxy)acetyl]amino]ethyl]-2-(4-hydroxyphenoxy)propanamide?
The InChIKey is BRDWSOHJDGYUGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N2O5/c1-12(28-15-5-3-14(24)4-6-15)19(26)23-9-8-22-18(25)11-27-17-7-2-13(20)10-16(17)21/h2-7,10,12,24H,8-9,11H2,1H3,(H,22,25)(H,23,26).
What are the key properties of N-[2-[[2-(2,4-dichlorophenoxy)acetyl]amino]ethyl]-2-(4-hydroxyphenoxy)propanamide?
N-[2-[[2-(2,4-dichlorophenoxy)acetyl]amino]ethyl]-2-(4-hydroxyphenoxy)propanamide has a molecular weight of 427.28 g/mol, XLogP of 2.78, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(2,4-dichlorophenoxy)acetyl]amino]ethyl]-2-(4-hydroxyphenoxy)propanamide is sourced from PubChem (CID 108539886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).