2-(4-chlorophenyl)-N-[4-[[2-(4-chlorophenyl)acetyl]amino]butyl]acetamide

C20H22Cl2N2O2 — CID 5009864

IUPAC2-(4-chlorophenyl)-N-[4-[[2-(4-chlorophenyl)acetyl]amino]butyl]acetamide
SMILESO=C(Cc1ccc(Cl)cc1)NCCCCNC(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C20H22Cl2N2O2/c21-17-7-3-15(4-8-17)13-19(25)23-11-1-2-12-24-20(26)14-16-5-9-18(22)10-6-16/h3-10H,1-2,11-14H2,(H,23,25)(H,24,26)
InChIKeyYMQXURBKTVSXMH-UHFFFAOYSA-N
MW393.31 g/mol
LogP3.79
Rot. Bonds9

About 2-(4-chlorophenyl)-N-[4-[[2-(4-chlorophenyl)acetyl]amino]butyl]acetamide

2-(4-chlorophenyl)-N-[4-[[2-(4-chlorophenyl)acetyl]amino]butyl]acetamide (PubChem CID 5009864) has the molecular formula C20H22Cl2N2O2 and a molecular weight of 393.31 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[4-[[2-(4-chlorophenyl)acetyl]amino]butyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[4-[[2-(4-chlorophenyl)acetyl]amino]butyl]acetamide
PubChem CID5009864
Molecular FormulaC20H22Cl2N2O2
Molecular Weight393.31 g/mol
Exact Mass392.11
IUPAC Name2-(4-chlorophenyl)-N-[4-[[2-(4-chlorophenyl)acetyl]amino]butyl]acetamide
SMILESO=C(Cc1ccc(Cl)cc1)NCCCCNC(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C20H22Cl2N2O2/c21-17-7-3-15(4-8-17)13-19(25)23-11-1-2-12-24-20(26)14-16-5-9-18(22)10-6-16/h3-10H,1-2,11-14H2,(H,23,25)(H,24,26)
InChIKeyYMQXURBKTVSXMH-UHFFFAOYSA-N
XLogP3.79
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.31
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[4-[[2-(4-chlorophenyl)acetyl]amino]butyl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[4-[[2-(4-chlorophenyl)acetyl]amino]butyl]acetamide (CID 5009864) is 2-(4-chlorophenyl)-N-[4-[[2-(4-chlorophenyl)acetyl]amino]butyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[4-[[2-(4-chlorophenyl)acetyl]amino]butyl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[4-[[2-(4-chlorophenyl)acetyl]amino]butyl]acetamide is O=C(Cc1ccc(Cl)cc1)NCCCCNC(=O)Cc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[4-[[2-(4-chlorophenyl)acetyl]amino]butyl]acetamide?
The InChIKey is YMQXURBKTVSXMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22Cl2N2O2/c21-17-7-3-15(4-8-17)13-19(25)23-11-1-2-12-24-20(26)14-16-5-9-18(22)10-6-16/h3-10H,1-2,11-14H2,(H,23,25)(H,24,26).
What are the key properties of 2-(4-chlorophenyl)-N-[4-[[2-(4-chlorophenyl)acetyl]amino]butyl]acetamide?
2-(4-chlorophenyl)-N-[4-[[2-(4-chlorophenyl)acetyl]amino]butyl]acetamide has a molecular weight of 393.31 g/mol, XLogP of 3.79, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[4-[[2-(4-chlorophenyl)acetyl]amino]butyl]acetamide is sourced from PubChem (CID 5009864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).