2-(4-chlorophenoxy)-N-[2-[[2-(4-chlorophenyl)acetyl]amino]ethyl]propanamide

C19H20Cl2N2O3 — CID 108572718

IUPAC2-(4-chlorophenoxy)-N-[2-[[2-(4-chlorophenyl)acetyl]amino]ethyl]propanamide
SMILESCC(Oc1ccc(Cl)cc1)C(=O)NCCNC(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C19H20Cl2N2O3/c1-13(26-17-8-6-16(21)7-9-17)19(25)23-11-10-22-18(24)12-14-2-4-15(20)5-3-14/h2-9,13H,10-12H2,1H3,(H,22,24)(H,23,25)
InChIKeyGTRUBLLAEWDIBA-UHFFFAOYSA-N
MW395.29 g/mol
LogP3.24
Rot. Bonds8

About 2-(4-chlorophenoxy)-N-[2-[[2-(4-chlorophenyl)acetyl]amino]ethyl]propanamide

2-(4-chlorophenoxy)-N-[2-[[2-(4-chlorophenyl)acetyl]amino]ethyl]propanamide (PubChem CID 108572718) has the molecular formula C19H20Cl2N2O3 and a molecular weight of 395.29 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[2-[[2-(4-chlorophenyl)acetyl]amino]ethyl]propanamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[2-[[2-(4-chlorophenyl)acetyl]amino]ethyl]propanamide
PubChem CID108572718
Molecular FormulaC19H20Cl2N2O3
Molecular Weight395.29 g/mol
Exact Mass394.09
IUPAC Name2-(4-chlorophenoxy)-N-[2-[[2-(4-chlorophenyl)acetyl]amino]ethyl]propanamide
SMILESCC(Oc1ccc(Cl)cc1)C(=O)NCCNC(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C19H20Cl2N2O3/c1-13(26-17-8-6-16(21)7-9-17)19(25)23-11-10-22-18(24)12-14-2-4-15(20)5-3-14/h2-9,13H,10-12H2,1H3,(H,22,24)(H,23,25)
InChIKeyGTRUBLLAEWDIBA-UHFFFAOYSA-N
XLogP3.24
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.29
LogP ≤ 53.24
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

2-(4-chlorophenoxy)-N-[2-(propanoylamino)ethyl]propanamide
CID 108541480
2-(4-chlorophenoxy)-N-[3-[2-(4-chlorophenoxy)propanoylamino]propyl]propanamide
CID 4944309
N-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]-2-(4-propan-2-ylphenoxy)propanamide
CID 108538670
2-(4-chlorophenyl)-N-[3-(4-propan-2-yloxyphenyl)propyl]acetamide
CID 50874755
4-chloro-N-[2-[2-(4-methylphenoxy)propanoylamino]ethyl]benzamide
CID 134039933
(2S)-2-(4-chlorophenoxy)-N-[(4-methoxyphenyl)methyl]propanamide
CID 2711643
2-(4-bromophenoxy)-N'-[2-(4-chlorophenyl)acetyl]propanehydrazide
CID 55348588
(2R)-2-(4-chlorophenoxy)-N-[2-(dimethylamino)ethyl]propanamide
CID 41368435
2-(4-chlorophenoxy)-N-[2-[[2-(2,3,6-trimethylphenoxy)acetyl]amino]ethyl]propanamide
CID 108541454
2-(4-chlorophenoxy)-N-[2-(ethylamino)-2-oxoethyl]propanamide
CID 18145731
2-(4-propan-2-ylphenoxy)-N-[2-[2-(4-propan-2-ylphenoxy)propanoylamino]ethyl]propanamide
CID 4954241
methyl 2-[2-(4-chlorophenoxy)propanoylamino]acetate
CID 43404771

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[2-[[2-(4-chlorophenyl)acetyl]amino]ethyl]propanamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[2-[[2-(4-chlorophenyl)acetyl]amino]ethyl]propanamide (CID 108572718) is 2-(4-chlorophenoxy)-N-[2-[[2-(4-chlorophenyl)acetyl]amino]ethyl]propanamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[2-[[2-(4-chlorophenyl)acetyl]amino]ethyl]propanamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[2-[[2-(4-chlorophenyl)acetyl]amino]ethyl]propanamide is CC(Oc1ccc(Cl)cc1)C(=O)NCCNC(=O)Cc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[2-[[2-(4-chlorophenyl)acetyl]amino]ethyl]propanamide?
The InChIKey is GTRUBLLAEWDIBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N2O3/c1-13(26-17-8-6-16(21)7-9-17)19(25)23-11-10-22-18(24)12-14-2-4-15(20)5-3-14/h2-9,13H,10-12H2,1H3,(H,22,24)(H,23,25).
What are the key properties of 2-(4-chlorophenoxy)-N-[2-[[2-(4-chlorophenyl)acetyl]amino]ethyl]propanamide?
2-(4-chlorophenoxy)-N-[2-[[2-(4-chlorophenyl)acetyl]amino]ethyl]propanamide has a molecular weight of 395.29 g/mol, XLogP of 3.24, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[2-[[2-(4-chlorophenyl)acetyl]amino]ethyl]propanamide is sourced from PubChem (CID 108572718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).