2-(4-chlorophenoxy)-N-[3-[[2-(4-chlorophenoxy)acetyl]amino]-4-nitrophenyl]acetamide

C22H17Cl2N3O6 — CID 4535018

IUPAC2-(4-chlorophenoxy)-N-[3-[[2-(4-chlorophenoxy)acetyl]amino]-4-nitrophenyl]acetamide
SMILESO=C(COc1ccc(Cl)cc1)Nc1ccc([N+](=O)[O-])c(NC(=O)COc2ccc(Cl)cc2)c1
InChIInChI=1S/C22H17Cl2N3O6/c23-14-1-6-17(7-2-14)32-12-21(28)25-16-5-10-20(27(30)31)19(11-16)26-22(29)13-33-18-8-3-15(24)4-9-18/h1-11H,12-13H2,(H,25,28)(H,26,29)
InChIKeyBCGLNGDCBPAEQU-UHFFFAOYSA-N
MW490.30 g/mol
LogP4.94
Rot. Bonds9

About 2-(4-chlorophenoxy)-N-[3-[[2-(4-chlorophenoxy)acetyl]amino]-4-nitrophenyl]acetamide

2-(4-chlorophenoxy)-N-[3-[[2-(4-chlorophenoxy)acetyl]amino]-4-nitrophenyl]acetamide (PubChem CID 4535018) has the molecular formula C22H17Cl2N3O6 and a molecular weight of 490.30 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[3-[[2-(4-chlorophenoxy)acetyl]amino]-4-nitrophenyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[3-[[2-(4-chlorophenoxy)acetyl]amino]-4-nitrophenyl]acetamide
PubChem CID4535018
Molecular FormulaC22H17Cl2N3O6
Molecular Weight490.30 g/mol
Exact Mass489.05
IUPAC Name2-(4-chlorophenoxy)-N-[3-[[2-(4-chlorophenoxy)acetyl]amino]-4-nitrophenyl]acetamide
SMILESO=C(COc1ccc(Cl)cc1)Nc1ccc([N+](=O)[O-])c(NC(=O)COc2ccc(Cl)cc2)c1
InChIInChI=1S/C22H17Cl2N3O6/c23-14-1-6-17(7-2-14)32-12-21(28)25-16-5-10-20(27(30)31)19(11-16)26-22(29)13-33-18-8-3-15(24)4-9-18/h1-11H,12-13H2,(H,25,28)(H,26,29)
InChIKeyBCGLNGDCBPAEQU-UHFFFAOYSA-N
XLogP4.94
TPSA119.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.30
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-amino-3-nitrophenyl)-2-(4-chlorophenoxy)acetamide
CID 23464321
N-(5-chloro-2-methyl-4-nitrophenyl)-2-(4-chlorophenoxy)acetamide
CID 2908402
N-(4-chloro-3-nitrophenyl)-2-(3,4-difluorophenoxy)acetamide
CID 7707047
[2-(5-chloro-2-nitroanilino)-2-oxoethyl] 2-(4-fluorophenoxy)acetate
CID 7791322
N-(4-chloro-3-nitrophenyl)-2-(4-iodophenoxy)acetamide
CID 35987063
N-(2-chloro-4-nitrophenyl)-2-(4-chlorophenoxy)acetamide
CID 2832007
2-(4-chloro-2-nitrophenoxy)-N-(4-chlorophenyl)acetamide
CID 7991150
2-(3-chlorophenoxy)-N-(4-fluoro-3-nitrophenyl)acetamide
CID 26696782
4-(2,4-dichlorophenoxy)-N-[3-[4-(2,4-dichlorophenoxy)butanoylamino]-4-nitrophenyl]butanamide
CID 5181794
N-(3,4-difluorophenyl)-2-(4-nitrophenoxy)acetamide
CID 2632328
N-(2,5-dichlorophenyl)-2-(4-nitrophenoxy)acetamide
CID 2632332
N-(4-chloro-3-nitrophenyl)-2-(4-propylphenoxy)acetamide
CID 19173108

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[3-[[2-(4-chlorophenoxy)acetyl]amino]-4-nitrophenyl]acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[3-[[2-(4-chlorophenoxy)acetyl]amino]-4-nitrophenyl]acetamide (CID 4535018) is 2-(4-chlorophenoxy)-N-[3-[[2-(4-chlorophenoxy)acetyl]amino]-4-nitrophenyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[3-[[2-(4-chlorophenoxy)acetyl]amino]-4-nitrophenyl]acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[3-[[2-(4-chlorophenoxy)acetyl]amino]-4-nitrophenyl]acetamide is O=C(COc1ccc(Cl)cc1)Nc1ccc([N+](=O)[O-])c(NC(=O)COc2ccc(Cl)cc2)c1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[3-[[2-(4-chlorophenoxy)acetyl]amino]-4-nitrophenyl]acetamide?
The InChIKey is BCGLNGDCBPAEQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17Cl2N3O6/c23-14-1-6-17(7-2-14)32-12-21(28)25-16-5-10-20(27(30)31)19(11-16)26-22(29)13-33-18-8-3-15(24)4-9-18/h1-11H,12-13H2,(H,25,28)(H,26,29).
What are the key properties of 2-(4-chlorophenoxy)-N-[3-[[2-(4-chlorophenoxy)acetyl]amino]-4-nitrophenyl]acetamide?
2-(4-chlorophenoxy)-N-[3-[[2-(4-chlorophenoxy)acetyl]amino]-4-nitrophenyl]acetamide has a molecular weight of 490.30 g/mol, XLogP of 4.94, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[3-[[2-(4-chlorophenoxy)acetyl]amino]-4-nitrophenyl]acetamide is sourced from PubChem (CID 4535018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).