N-[4-(3-amino-5-nitrophenoxy)phenyl]acetamide

C14H13N3O4 — CID 2861723

IUPACN-[4-(3-amino-5-nitrophenoxy)phenyl]acetamide
SMILESCC(=O)Nc1ccc(Oc2cc(N)cc([N+](=O)[O-])c2)cc1
InChIInChI=1S/C14H13N3O4/c1-9(18)16-11-2-4-13(5-3-11)21-14-7-10(15)6-12(8-14)17(19)20/h2-8H,15H2,1H3,(H,16,18)
InChIKeyNPWZUHYIONTUHL-UHFFFAOYSA-N
MW287.28 g/mol
LogP2.93
Rot. Bonds4

About N-[4-(3-amino-5-nitrophenoxy)phenyl]acetamide

N-[4-(3-amino-5-nitrophenoxy)phenyl]acetamide (PubChem CID 2861723) has the molecular formula C14H13N3O4 and a molecular weight of 287.28 g/mol. Its IUPAC name is N-[4-(3-amino-5-nitrophenoxy)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(3-amino-5-nitrophenoxy)phenyl]acetamide
PubChem CID2861723
Molecular FormulaC14H13N3O4
Molecular Weight287.28 g/mol
Exact Mass287.09
IUPAC NameN-[4-(3-amino-5-nitrophenoxy)phenyl]acetamide
SMILESCC(=O)Nc1ccc(Oc2cc(N)cc([N+](=O)[O-])c2)cc1
InChIInChI=1S/C14H13N3O4/c1-9(18)16-11-2-4-13(5-3-11)21-14-7-10(15)6-12(8-14)17(19)20/h2-8H,15H2,1H3,(H,16,18)
InChIKeyNPWZUHYIONTUHL-UHFFFAOYSA-N
XLogP2.93
TPSA107.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.28
LogP ≤ 52.93
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

3'-Nitro-p-acetophenetidide
CID 15685
N-(4-Phenoxyphenyl)acetamide
CID 80579
Ace-011
CID 2877953
Acetamide, N-(4-methoxy-2-nitrophenyl)-
CID 67075
5'-Nitro-2'-propoxyacetanilide
CID 68377
Acetanilide, 4'-(p-nitrophenoxy)-
CID 165015
4'-Methoxy-3'-nitroacetanilide
CID 95043
2-Acetylamino-5-nitroanisole
CID 66729
Acetamide, N-(2-methoxy-5-nitrophenyl)-
CID 97239
Benzenamine, 3-(4-nitrophenoxy)-
CID 211166
2,4-Dinitro-3'-methoxydiphenylamine
CID 4427822
N-{2-(acetylamino)-4-[4-(acetylamino)phenoxy]phenyl}acetamide
CID 830991

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-amino-5-nitrophenoxy)phenyl]acetamide?
The IUPAC name of N-[4-(3-amino-5-nitrophenoxy)phenyl]acetamide (CID 2861723) is N-[4-(3-amino-5-nitrophenoxy)phenyl]acetamide.
What is the SMILES notation for N-[4-(3-amino-5-nitrophenoxy)phenyl]acetamide?
The canonical SMILES for N-[4-(3-amino-5-nitrophenoxy)phenyl]acetamide is CC(=O)Nc1ccc(Oc2cc(N)cc([N+](=O)[O-])c2)cc1.
What is the InChIKey of N-[4-(3-amino-5-nitrophenoxy)phenyl]acetamide?
The InChIKey is NPWZUHYIONTUHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O4/c1-9(18)16-11-2-4-13(5-3-11)21-14-7-10(15)6-12(8-14)17(19)20/h2-8H,15H2,1H3,(H,16,18).
What are the key properties of N-[4-(3-amino-5-nitrophenoxy)phenyl]acetamide?
N-[4-(3-amino-5-nitrophenoxy)phenyl]acetamide has a molecular weight of 287.28 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-amino-5-nitrophenoxy)phenyl]acetamide is sourced from PubChem (CID 2861723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).