N-[(2-aminophenyl)methyl]-2-(4-nitrophenoxy)acetamide

C15H15N3O4 — CID 52940822

IUPACN-[(2-aminophenyl)methyl]-2-(4-nitrophenoxy)acetamide
SMILESNc1ccccc1CNC(=O)COc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H15N3O4/c16-14-4-2-1-3-11(14)9-17-15(19)10-22-13-7-5-12(6-8-13)18(20)21/h1-8H,9-10,16H2,(H,17,19)
InChIKeyPWOONCPZIFXEDJ-UHFFFAOYSA-N
MW301.30 g/mol
LogP1.87
Rot. Bonds6

About N-[(2-aminophenyl)methyl]-2-(4-nitrophenoxy)acetamide

N-[(2-aminophenyl)methyl]-2-(4-nitrophenoxy)acetamide (PubChem CID 52940822) has the molecular formula C15H15N3O4 and a molecular weight of 301.30 g/mol. Its IUPAC name is N-[(2-aminophenyl)methyl]-2-(4-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-[(2-aminophenyl)methyl]-2-(4-nitrophenoxy)acetamide
PubChem CID52940822
Molecular FormulaC15H15N3O4
Molecular Weight301.30 g/mol
Exact Mass301.11
IUPAC NameN-[(2-aminophenyl)methyl]-2-(4-nitrophenoxy)acetamide
SMILESNc1ccccc1CNC(=O)COc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H15N3O4/c16-14-4-2-1-3-11(14)9-17-15(19)10-22-13-7-5-12(6-8-13)18(20)21/h1-8H,9-10,16H2,(H,17,19)
InChIKeyPWOONCPZIFXEDJ-UHFFFAOYSA-N
XLogP1.87
TPSA107.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.30
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(4-nitrophenoxy)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]acetamide
CID 41437994
3-[[2-(4-nitrophenoxy)acetyl]amino]propanamide
CID 3757561
N'-[2-(4-nitrophenoxy)acetyl]-2-phenylacetohydrazide
CID 922307
N-(2,2-diphenylethyl)-2-(4-nitrophenoxy)acetamide
CID 41161668
N-(2-naphthalen-1-yloxyethyl)-2-(4-nitrophenoxy)acetamide
CID 19174635
2-(4-nitrophenoxy)-N-phenylacetamide
CID 923397
N-[(2-hydroxy-5-nitrophenyl)methyl]-2-[(2-phenoxyacetyl)amino]acetamide
CID 46521650
N-[2-(4-nitrophenyl)ethyl]-2-phenoxyacetamide
CID 19166772
N-(2-acetamidoethyl)-2-(4-nitrophenoxy)acetamide
CID 41161661
N-(3-hydroxypropyl)-2-(4-nitrophenoxy)acetamide
CID 43391408
2-(4-nitrophenoxy)-N'-phenylacetohydrazide
CID 739659
1-[(2-aminophenyl)methyl]-3-(4-nitrophenyl)thiourea
CID 167472805

Frequently Asked Questions

What is the IUPAC name of N-[(2-aminophenyl)methyl]-2-(4-nitrophenoxy)acetamide?
The IUPAC name of N-[(2-aminophenyl)methyl]-2-(4-nitrophenoxy)acetamide (CID 52940822) is N-[(2-aminophenyl)methyl]-2-(4-nitrophenoxy)acetamide.
What is the SMILES notation for N-[(2-aminophenyl)methyl]-2-(4-nitrophenoxy)acetamide?
The canonical SMILES for N-[(2-aminophenyl)methyl]-2-(4-nitrophenoxy)acetamide is Nc1ccccc1CNC(=O)COc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-[(2-aminophenyl)methyl]-2-(4-nitrophenoxy)acetamide?
The InChIKey is PWOONCPZIFXEDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O4/c16-14-4-2-1-3-11(14)9-17-15(19)10-22-13-7-5-12(6-8-13)18(20)21/h1-8H,9-10,16H2,(H,17,19).
What are the key properties of N-[(2-aminophenyl)methyl]-2-(4-nitrophenoxy)acetamide?
N-[(2-aminophenyl)methyl]-2-(4-nitrophenoxy)acetamide has a molecular weight of 301.30 g/mol, XLogP of 1.87, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-aminophenyl)methyl]-2-(4-nitrophenoxy)acetamide is sourced from PubChem (CID 52940822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).