2-(3-nitrophenoxy)-N-(3-phenoxyphenyl)acetamide

C20H16N2O5 — CID 51480450

IUPAC2-(3-nitrophenoxy)-N-(3-phenoxyphenyl)acetamide
SMILESO=C(COc1cccc([N+](=O)[O-])c1)Nc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C20H16N2O5/c23-20(14-26-18-10-5-7-16(13-18)22(24)25)21-15-6-4-11-19(12-15)27-17-8-2-1-3-9-17/h1-13H,14H2,(H,21,23)
InChIKeyVQKSSCRRCIBCJD-UHFFFAOYSA-N
MW364.36 g/mol
LogP4.40
Rot. Bonds7

About 2-(3-nitrophenoxy)-N-(3-phenoxyphenyl)acetamide

2-(3-nitrophenoxy)-N-(3-phenoxyphenyl)acetamide (PubChem CID 51480450) has the molecular formula C20H16N2O5 and a molecular weight of 364.36 g/mol. Its IUPAC name is 2-(3-nitrophenoxy)-N-(3-phenoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(3-nitrophenoxy)-N-(3-phenoxyphenyl)acetamide
PubChem CID51480450
Molecular FormulaC20H16N2O5
Molecular Weight364.36 g/mol
Exact Mass364.11
IUPAC Name2-(3-nitrophenoxy)-N-(3-phenoxyphenyl)acetamide
SMILESO=C(COc1cccc([N+](=O)[O-])c1)Nc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C20H16N2O5/c23-20(14-26-18-10-5-7-16(13-18)22(24)25)21-15-6-4-11-19(12-15)27-17-8-2-1-3-9-17/h1-13H,14H2,(H,21,23)
InChIKeyVQKSSCRRCIBCJD-UHFFFAOYSA-N
XLogP4.40
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.36
LogP ≤ 54.40
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

N-(3-nitrophenyl)-2-[(2-phenoxyacetyl)amino]acetamide
CID 7965634
2-[[2-(3-nitrophenoxy)acetyl]amino]benzoic acid
CID 877684
2-(3,5-dimethylphenoxy)-N-(3-nitrophenyl)acetamide
CID 926852
2-(4-methoxyphenoxy)-N-(3-nitrophenyl)acetamide
CID 690203
N-(4-methylsulfanylphenyl)-2-(3-nitrophenoxy)acetamide
CID 51287734
N-(3-nitrophenyl)-2-(2-phenylphenoxy)acetamide
CID 7779991
2-(3-nitrophenoxy)-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 46411615
2-(4-nitrophenoxy)-N-phenylacetamide
CID 923397
N-[3-(2-methoxyethoxy)phenyl]-2-(4-nitrophenoxy)acetamide
CID 17169805
2-(4-nitrophenoxy)-N-(3-prop-2-enoxyphenyl)acetamide
CID 17086678
2-[3-[2-oxo-2-(3-phenoxyanilino)ethoxy]phenyl]acetamide
CID 48934810
N-[4-(3-methylphenoxy)phenyl]-2-(4-nitrophenoxy)acetamide
CID 7925013

Frequently Asked Questions

What is the IUPAC name of 2-(3-nitrophenoxy)-N-(3-phenoxyphenyl)acetamide?
The IUPAC name of 2-(3-nitrophenoxy)-N-(3-phenoxyphenyl)acetamide (CID 51480450) is 2-(3-nitrophenoxy)-N-(3-phenoxyphenyl)acetamide.
What is the SMILES notation for 2-(3-nitrophenoxy)-N-(3-phenoxyphenyl)acetamide?
The canonical SMILES for 2-(3-nitrophenoxy)-N-(3-phenoxyphenyl)acetamide is O=C(COc1cccc([N+](=O)[O-])c1)Nc1cccc(Oc2ccccc2)c1.
What is the InChIKey of 2-(3-nitrophenoxy)-N-(3-phenoxyphenyl)acetamide?
The InChIKey is VQKSSCRRCIBCJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O5/c23-20(14-26-18-10-5-7-16(13-18)22(24)25)21-15-6-4-11-19(12-15)27-17-8-2-1-3-9-17/h1-13H,14H2,(H,21,23).
What are the key properties of 2-(3-nitrophenoxy)-N-(3-phenoxyphenyl)acetamide?
2-(3-nitrophenoxy)-N-(3-phenoxyphenyl)acetamide has a molecular weight of 364.36 g/mol, XLogP of 4.40, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-nitrophenoxy)-N-(3-phenoxyphenyl)acetamide is sourced from PubChem (CID 51480450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).