N-[4-(4-nitrophenoxy)phenyl]acetamide

C28H24N4O8 — CID 139084350

IUPACN-[4-(4-nitrophenoxy)phenyl]acetamide
SMILESCC(=O)Nc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1.CC(=O)Nc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/2C14H12N2O4/c2*1-10(17)15-11-2-6-13(7-3-11)20-14-8-4-12(5-9-14)16(18)19/h2*2-9H,1H3,(H,15,17)
InChIKeyIJDQIKJHMQGXDJ-UHFFFAOYSA-N
MW544.52 g/mol
LogP6.69
Rot. Bonds8

About N-[4-(4-nitrophenoxy)phenyl]acetamide

N-[4-(4-nitrophenoxy)phenyl]acetamide (PubChem CID 139084350) has the molecular formula C28H24N4O8 and a molecular weight of 544.52 g/mol. Its IUPAC name is N-[4-(4-nitrophenoxy)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(4-nitrophenoxy)phenyl]acetamide
PubChem CID139084350
Molecular FormulaC28H24N4O8
Molecular Weight544.52 g/mol
Exact Mass544.16
IUPAC NameN-[4-(4-nitrophenoxy)phenyl]acetamide
SMILESCC(=O)Nc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1.CC(=O)Nc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/2C14H12N2O4/c2*1-10(17)15-11-2-6-13(7-3-11)20-14-8-4-12(5-9-14)16(18)19/h2*2-9H,1H3,(H,15,17)
InChIKeyIJDQIKJHMQGXDJ-UHFFFAOYSA-N
XLogP6.69
TPSA162.94 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.52
LogP ≤ 56.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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-(3-nitro-5-phenoxyphenoxy)phenyl]acetamide
CID 101025595
N-[4-[(4-nitrophenyl)methoxy]phenyl]acetamide
CID 895335
N-[4-methoxy-3-(4-nitrophenoxy)phenyl]acetamide
CID 58929108
2-(4-nitrophenoxy)-N-(4-nitrophenyl)propanamide
CID 4951253
3-(4-nitrophenyl)-N-[4-[4-[3-(4-nitrophenyl)prop-2-enoylamino]phenoxy]phenyl]prop-2-enamide
CID 5115471
4-(4-nitrophenoxy)-N-phenylbenzamide
CID 2977930
N-[4-[3-(4-nitrophenoxy)propylsulfanyl]phenyl]acetamide
CID 60529148
N-[4-[[4-(4-nitrophenyl)sulfanylphenyl]methoxy]phenyl]acetamide
CID 1262392
2-fluoro-N-[4-(4-nitrophenoxy)phenyl]benzamide
CID 23733524
[4-[4-(4-nitrobenzoyl)phenoxy]phenyl]-(4-nitrophenyl)methanone
CID 14344371
methyl 2-[4-(4-nitrophenoxy)phenoxy]propanoate
CID 71372462
N-(4-methoxyphenyl)-4-nitrobenzamide
CID 532159

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-nitrophenoxy)phenyl]acetamide?
The IUPAC name of N-[4-(4-nitrophenoxy)phenyl]acetamide (CID 139084350) is N-[4-(4-nitrophenoxy)phenyl]acetamide.
What is the SMILES notation for N-[4-(4-nitrophenoxy)phenyl]acetamide?
The canonical SMILES for N-[4-(4-nitrophenoxy)phenyl]acetamide is CC(=O)Nc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1.CC(=O)Nc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1.
What is the InChIKey of N-[4-(4-nitrophenoxy)phenyl]acetamide?
The InChIKey is IJDQIKJHMQGXDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H12N2O4/c2*1-10(17)15-11-2-6-13(7-3-11)20-14-8-4-12(5-9-14)16(18)19/h2*2-9H,1H3,(H,15,17).
What are the key properties of N-[4-(4-nitrophenoxy)phenyl]acetamide?
N-[4-(4-nitrophenoxy)phenyl]acetamide has a molecular weight of 544.52 g/mol, XLogP of 6.69, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-nitrophenoxy)phenyl]acetamide is sourced from PubChem (CID 139084350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).