N-(2-chlorophenyl)-2-[methyl-[2-(4-nitro-2-phenylphenoxy)acetyl]amino]acetamide

C23H20ClN3O5 — CID 20994918

IUPACN-(2-chlorophenyl)-2-[methyl-[2-(4-nitro-2-phenylphenoxy)acetyl]amino]acetamide
SMILESCN(CC(=O)Nc1ccccc1Cl)C(=O)COc1ccc([N+](=O)[O-])cc1-c1ccccc1
InChIInChI=1S/C23H20ClN3O5/c1-26(14-22(28)25-20-10-6-5-9-19(20)24)23(29)15-32-21-12-11-17(27(30)31)13-18(21)16-7-3-2-4-8-16/h2-13H,14-15H2,1H3,(H,25,28)
InChIKeyUTQWFSUGGDQAGP-UHFFFAOYSA-N
MW453.88 g/mol
LogP4.39
Rot. Bonds8

About N-(2-chlorophenyl)-2-[methyl-[2-(4-nitro-2-phenylphenoxy)acetyl]amino]acetamide

N-(2-chlorophenyl)-2-[methyl-[2-(4-nitro-2-phenylphenoxy)acetyl]amino]acetamide (PubChem CID 20994918) has the molecular formula C23H20ClN3O5 and a molecular weight of 453.88 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-[methyl-[2-(4-nitro-2-phenylphenoxy)acetyl]amino]acetamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-[methyl-[2-(4-nitro-2-phenylphenoxy)acetyl]amino]acetamide
PubChem CID20994918
Molecular FormulaC23H20ClN3O5
Molecular Weight453.88 g/mol
Exact Mass453.11
IUPAC NameN-(2-chlorophenyl)-2-[methyl-[2-(4-nitro-2-phenylphenoxy)acetyl]amino]acetamide
SMILESCN(CC(=O)Nc1ccccc1Cl)C(=O)COc1ccc([N+](=O)[O-])cc1-c1ccccc1
InChIInChI=1S/C23H20ClN3O5/c1-26(14-22(28)25-20-10-6-5-9-19(20)24)23(29)15-32-21-12-11-17(27(30)31)13-18(21)16-7-3-2-4-8-16/h2-13H,14-15H2,1H3,(H,25,28)
InChIKeyUTQWFSUGGDQAGP-UHFFFAOYSA-N
XLogP4.39
TPSA101.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.88
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

[2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-amino-4-nitrobenzoate
CID 55307102
2-[[2-(2-bromo-4-chlorophenoxy)acetyl]-methylamino]-N-(2-chlorophenyl)acetamide
CID 34597943
N-(2-chlorophenyl)-2-[[2-(2-fluorophenoxy)acetyl]-methylamino]acetamide
CID 7434026
N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-4-nitrobenzamide
CID 4875964
2-[[2-(2-chloro-4-nitrophenoxy)acetyl]-propylamino]-N-(2-methylphenyl)acetamide
CID 2561598
N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-2-[4-(4-nitrophenyl)piperazin-1-yl]acetamide
CID 25408858
N-(2-chlorophenyl)-2-(4-nitro-2-prop-2-enylphenoxy)acetamide
CID 7577886
2-[[2-(2-chlorophenoxy)acetyl]-methylamino]-N-(2-ethylphenyl)acetamide
CID 2676301
[2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(2-cyanophenoxy)acetate
CID 9317396
2-[2-(4-methoxyphenyl)-4-nitrophenoxy]-N-(2-methylphenyl)acetamide
CID 7991213
2-(2-chloro-4-phenylphenoxy)-N-(2-methoxy-5-nitrophenyl)acetamide
CID 7653192
N-(2-chlorophenyl)-2-[[2-(4-ethylphenoxy)acetyl]-methylamino]acetamide
CID 9409682

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-[methyl-[2-(4-nitro-2-phenylphenoxy)acetyl]amino]acetamide?
The IUPAC name of N-(2-chlorophenyl)-2-[methyl-[2-(4-nitro-2-phenylphenoxy)acetyl]amino]acetamide (CID 20994918) is N-(2-chlorophenyl)-2-[methyl-[2-(4-nitro-2-phenylphenoxy)acetyl]amino]acetamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-[methyl-[2-(4-nitro-2-phenylphenoxy)acetyl]amino]acetamide?
The canonical SMILES for N-(2-chlorophenyl)-2-[methyl-[2-(4-nitro-2-phenylphenoxy)acetyl]amino]acetamide is CN(CC(=O)Nc1ccccc1Cl)C(=O)COc1ccc([N+](=O)[O-])cc1-c1ccccc1.
What is the InChIKey of N-(2-chlorophenyl)-2-[methyl-[2-(4-nitro-2-phenylphenoxy)acetyl]amino]acetamide?
The InChIKey is UTQWFSUGGDQAGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN3O5/c1-26(14-22(28)25-20-10-6-5-9-19(20)24)23(29)15-32-21-12-11-17(27(30)31)13-18(21)16-7-3-2-4-8-16/h2-13H,14-15H2,1H3,(H,25,28).
What are the key properties of N-(2-chlorophenyl)-2-[methyl-[2-(4-nitro-2-phenylphenoxy)acetyl]amino]acetamide?
N-(2-chlorophenyl)-2-[methyl-[2-(4-nitro-2-phenylphenoxy)acetyl]amino]acetamide has a molecular weight of 453.88 g/mol, XLogP of 4.39, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-[methyl-[2-(4-nitro-2-phenylphenoxy)acetyl]amino]acetamide is sourced from PubChem (CID 20994918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).