N-[4-(3-nitro-5-phenoxyphenoxy)phenyl]acetamide

C20H16N2O5 — CID 101025595

IUPACN-[4-(3-nitro-5-phenoxyphenoxy)phenyl]acetamide
SMILESCC(=O)Nc1ccc(Oc2cc(Oc3ccccc3)cc([N+](=O)[O-])c2)cc1
InChIInChI=1S/C20H16N2O5/c1-14(23)21-15-7-9-18(10-8-15)27-20-12-16(22(24)25)11-19(13-20)26-17-5-3-2-4-6-17/h2-13H,1H3,(H,21,23)
InChIKeyHRKLFKXIHTTXLH-UHFFFAOYSA-N
MW364.36 g/mol
LogP5.14
Rot. Bonds6

About N-[4-(3-nitro-5-phenoxyphenoxy)phenyl]acetamide

N-[4-(3-nitro-5-phenoxyphenoxy)phenyl]acetamide (PubChem CID 101025595) has the molecular formula C20H16N2O5 and a molecular weight of 364.36 g/mol. Its IUPAC name is N-[4-(3-nitro-5-phenoxyphenoxy)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(3-nitro-5-phenoxyphenoxy)phenyl]acetamide
PubChem CID101025595
Molecular FormulaC20H16N2O5
Molecular Weight364.36 g/mol
Exact Mass364.11
IUPAC NameN-[4-(3-nitro-5-phenoxyphenoxy)phenyl]acetamide
SMILESCC(=O)Nc1ccc(Oc2cc(Oc3ccccc3)cc([N+](=O)[O-])c2)cc1
InChIInChI=1S/C20H16N2O5/c1-14(23)21-15-7-9-18(10-8-15)27-20-12-16(22(24)25)11-19(13-20)26-17-5-3-2-4-6-17/h2-13H,1H3,(H,21,23)
InChIKeyHRKLFKXIHTTXLH-UHFFFAOYSA-N
XLogP5.14
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.36
LogP ≤ 55.14
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-[4-(4-nitrophenoxy)phenyl]acetamide
CID 139084350
phenoxybenzene;N-phenylacetamide
CID 174350344
N-[4-[3-(3,5-dioxomorpholin-4-yl)-5-nitrophenoxy]phenyl]acetamide
CID 1103077
N-(4-acetamidophenyl)-4-phenoxybenzamide
CID 16651566
2-chloro-4-nitro-N-(4-phenoxyphenyl)benzamide
CID 1291023
N-(3-nitro-5-phenoxyphenyl)pyridine-4-carboxamide
CID 4223458
4-(4-nitrophenoxy)-N-phenylbenzamide
CID 2977930
2-oxo-N-(4-phenoxyphenyl)propanamide
CID 115175317
3-acetamido-N-(4-phenoxyphenyl)benzamide
CID 24639214
3-nitro-N-[(2S)-1-oxo-1-(4-phenoxyanilino)propan-2-yl]benzamide
CID 9138986
N-[4-methoxy-3-(4-nitrophenoxy)phenyl]acetamide
CID 58929108
N-(3-nitrophenyl)-4-phenoxybenzamide
CID 7965638

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-nitro-5-phenoxyphenoxy)phenyl]acetamide?
The IUPAC name of N-[4-(3-nitro-5-phenoxyphenoxy)phenyl]acetamide (CID 101025595) is N-[4-(3-nitro-5-phenoxyphenoxy)phenyl]acetamide.
What is the SMILES notation for N-[4-(3-nitro-5-phenoxyphenoxy)phenyl]acetamide?
The canonical SMILES for N-[4-(3-nitro-5-phenoxyphenoxy)phenyl]acetamide is CC(=O)Nc1ccc(Oc2cc(Oc3ccccc3)cc([N+](=O)[O-])c2)cc1.
What is the InChIKey of N-[4-(3-nitro-5-phenoxyphenoxy)phenyl]acetamide?
The InChIKey is HRKLFKXIHTTXLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O5/c1-14(23)21-15-7-9-18(10-8-15)27-20-12-16(22(24)25)11-19(13-20)26-17-5-3-2-4-6-17/h2-13H,1H3,(H,21,23).
What are the key properties of N-[4-(3-nitro-5-phenoxyphenoxy)phenyl]acetamide?
N-[4-(3-nitro-5-phenoxyphenoxy)phenyl]acetamide has a molecular weight of 364.36 g/mol, XLogP of 5.14, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-nitro-5-phenoxyphenoxy)phenyl]acetamide is sourced from PubChem (CID 101025595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).