N-(3-nitrophenyl)-3-phenoxypropanamide

C15H14N2O4 — CID 675180

IUPACN-(3-nitrophenyl)-3-phenoxypropanamide
SMILESO=C(CCOc1ccccc1)Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C15H14N2O4/c18-15(9-10-21-14-7-2-1-3-8-14)16-12-5-4-6-13(11-12)17(19)20/h1-8,11H,9-10H2,(H,16,18)
InChIKeyPWPBIGOREKFEIG-UHFFFAOYSA-N
MW286.29 g/mol
LogP3.00
Rot. Bonds6

About N-(3-nitrophenyl)-3-phenoxypropanamide

N-(3-nitrophenyl)-3-phenoxypropanamide (PubChem CID 675180) has the molecular formula C15H14N2O4 and a molecular weight of 286.29 g/mol. Its IUPAC name is N-(3-nitrophenyl)-3-phenoxypropanamide.

Molecular Properties

Compound NameN-(3-nitrophenyl)-3-phenoxypropanamide
PubChem CID675180
Molecular FormulaC15H14N2O4
Molecular Weight286.29 g/mol
Exact Mass286.10
IUPAC NameN-(3-nitrophenyl)-3-phenoxypropanamide
SMILESO=C(CCOc1ccccc1)Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C15H14N2O4/c18-15(9-10-21-14-7-2-1-3-8-14)16-12-5-4-6-13(11-12)17(19)20/h1-8,11H,9-10H2,(H,16,18)
InChIKeyPWPBIGOREKFEIG-UHFFFAOYSA-N
XLogP3.00
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

3'-Nitro-p-acetophenetidide
CID 15685
5'-Nitro-2'-propoxyacetanilide
CID 68377
N-(4-nitrophenyl)-2-phenoxyacetamide
CID 309593
Acetanilide, 4'-(p-nitrophenoxy)-
CID 165015
4'-Methoxy-3'-nitroacetanilide
CID 95043
N-(4-nitrophenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 2788382
N-[4-(3-amino-5-nitrophenoxy)phenyl]acetamide
CID 2861723
Acetamide, N-(2-methoxy-5-nitrophenyl)-
CID 97239
N-(3-nitrophenyl)-2-phenoxypropanamide
CID 2891445
N-(3-nitrophenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 2788381
N-(2-methoxy-5-nitrophenyl)propanamide
CID 2176144
Phenyl N-(3-nitrophenyl)carbamate
CID 37107

Frequently Asked Questions

What is the IUPAC name of N-(3-nitrophenyl)-3-phenoxypropanamide?
The IUPAC name of N-(3-nitrophenyl)-3-phenoxypropanamide (CID 675180) is N-(3-nitrophenyl)-3-phenoxypropanamide.
What is the SMILES notation for N-(3-nitrophenyl)-3-phenoxypropanamide?
The canonical SMILES for N-(3-nitrophenyl)-3-phenoxypropanamide is O=C(CCOc1ccccc1)Nc1cccc([N+](=O)[O-])c1.
What is the InChIKey of N-(3-nitrophenyl)-3-phenoxypropanamide?
The InChIKey is PWPBIGOREKFEIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4/c18-15(9-10-21-14-7-2-1-3-8-14)16-12-5-4-6-13(11-12)17(19)20/h1-8,11H,9-10H2,(H,16,18).
What are the key properties of N-(3-nitrophenyl)-3-phenoxypropanamide?
N-(3-nitrophenyl)-3-phenoxypropanamide has a molecular weight of 286.29 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-nitrophenyl)-3-phenoxypropanamide is sourced from PubChem (CID 675180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).