2-[4-(4-cyanophenyl)phenoxy]-N-(2-methyl-6-nitrophenyl)acetamide

C22H17N3O4 — CID 4789874

IUPAC2-[4-(4-cyanophenyl)phenoxy]-N-(2-methyl-6-nitrophenyl)acetamide
SMILESCc1cccc([N+](=O)[O-])c1NC(=O)COc1ccc(-c2ccc(C#N)cc2)cc1
InChIInChI=1S/C22H17N3O4/c1-15-3-2-4-20(25(27)28)22(15)24-21(26)14-29-19-11-9-18(10-12-19)17-7-5-16(13-23)6-8-17/h2-12H,14H2,1H3,(H,24,26)
InChIKeyFRVRRFDVZGFWGW-UHFFFAOYSA-N
MW387.40 g/mol
LogP4.46
Rot. Bonds6

About 2-[4-(4-cyanophenyl)phenoxy]-N-(2-methyl-6-nitrophenyl)acetamide

2-[4-(4-cyanophenyl)phenoxy]-N-(2-methyl-6-nitrophenyl)acetamide (PubChem CID 4789874) has the molecular formula C22H17N3O4 and a molecular weight of 387.40 g/mol. Its IUPAC name is 2-[4-(4-cyanophenyl)phenoxy]-N-(2-methyl-6-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-[4-(4-cyanophenyl)phenoxy]-N-(2-methyl-6-nitrophenyl)acetamide
PubChem CID4789874
Molecular FormulaC22H17N3O4
Molecular Weight387.40 g/mol
Exact Mass387.12
IUPAC Name2-[4-(4-cyanophenyl)phenoxy]-N-(2-methyl-6-nitrophenyl)acetamide
SMILESCc1cccc([N+](=O)[O-])c1NC(=O)COc1ccc(-c2ccc(C#N)cc2)cc1
InChIInChI=1S/C22H17N3O4/c1-15-3-2-4-20(25(27)28)22(15)24-21(26)14-29-19-11-9-18(10-12-19)17-7-5-16(13-23)6-8-17/h2-12H,14H2,1H3,(H,24,26)
InChIKeyFRVRRFDVZGFWGW-UHFFFAOYSA-N
XLogP4.46
TPSA105.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.40
LogP ≤ 54.46
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-[4-(4-cyanophenyl)phenoxy]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 26218567
2-[4-(4-methylphenyl)phenoxy]-N-(2-nitrophenyl)acetamide
CID 2789918
N-(4-cyanophenyl)-2-[4-(4-cyanophenyl)phenoxy]acetamide
CID 7966728
N-(2-hydroxy-6-nitrophenyl)-2-phenoxyacetamide
CID 107681256
2-[[2-[4-(4-cyanophenyl)phenoxy]acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 46788172
2-[[2-(4-cyanophenoxy)acetyl]-methylamino]-N-(2,6-dimethylphenyl)acetamide
CID 26619648
N-(2-cyanophenyl)-2-[4-(4-cyanophenyl)phenoxy]acetamide
CID 7670915
N-(2-ethyl-6-methylphenyl)-2-[4-(4-methylphenyl)phenoxy]acetamide
CID 19172373
[2-(2-methyl-6-nitroanilino)-2-oxoethyl] 4-(4-acetylphenoxy)butanoate
CID 7196168
N-(2-methyl-6-propan-2-ylphenyl)-2-(4-phenylphenoxy)acetamide
CID 7790431
N-(2-methyl-3-nitrophenyl)-2-(4-nitrophenoxy)acetamide
CID 2632166
[2-(2-methyl-6-nitroanilino)-2-oxoethyl] 3-methylbut-2-enoate
CID 8759430

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-cyanophenyl)phenoxy]-N-(2-methyl-6-nitrophenyl)acetamide?
The IUPAC name of 2-[4-(4-cyanophenyl)phenoxy]-N-(2-methyl-6-nitrophenyl)acetamide (CID 4789874) is 2-[4-(4-cyanophenyl)phenoxy]-N-(2-methyl-6-nitrophenyl)acetamide.
What is the SMILES notation for 2-[4-(4-cyanophenyl)phenoxy]-N-(2-methyl-6-nitrophenyl)acetamide?
The canonical SMILES for 2-[4-(4-cyanophenyl)phenoxy]-N-(2-methyl-6-nitrophenyl)acetamide is Cc1cccc([N+](=O)[O-])c1NC(=O)COc1ccc(-c2ccc(C#N)cc2)cc1.
What is the InChIKey of 2-[4-(4-cyanophenyl)phenoxy]-N-(2-methyl-6-nitrophenyl)acetamide?
The InChIKey is FRVRRFDVZGFWGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O4/c1-15-3-2-4-20(25(27)28)22(15)24-21(26)14-29-19-11-9-18(10-12-19)17-7-5-16(13-23)6-8-17/h2-12H,14H2,1H3,(H,24,26).
What are the key properties of 2-[4-(4-cyanophenyl)phenoxy]-N-(2-methyl-6-nitrophenyl)acetamide?
2-[4-(4-cyanophenyl)phenoxy]-N-(2-methyl-6-nitrophenyl)acetamide has a molecular weight of 387.40 g/mol, XLogP of 4.46, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-cyanophenyl)phenoxy]-N-(2-methyl-6-nitrophenyl)acetamide is sourced from PubChem (CID 4789874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).