N-(2-hydroxy-4-nitrophenyl)-3-phenoxypropanamide

C15H14N2O5 — CID 108807000

IUPACN-(2-hydroxy-4-nitrophenyl)-3-phenoxypropanamide
SMILESO=C(CCOc1ccccc1)Nc1ccc([N+](=O)[O-])cc1O
InChIInChI=1S/C15H14N2O5/c18-14-10-11(17(20)21)6-7-13(14)16-15(19)8-9-22-12-4-2-1-3-5-12/h1-7,10,18H,8-9H2,(H,16,19)
InChIKeyPLYFRIUMTHNSPD-UHFFFAOYSA-N
MW302.29 g/mol
LogP2.71
Rot. Bonds6

About N-(2-hydroxy-4-nitrophenyl)-3-phenoxypropanamide

N-(2-hydroxy-4-nitrophenyl)-3-phenoxypropanamide (PubChem CID 108807000) has the molecular formula C15H14N2O5 and a molecular weight of 302.29 g/mol. Its IUPAC name is N-(2-hydroxy-4-nitrophenyl)-3-phenoxypropanamide.

Molecular Properties

Compound NameN-(2-hydroxy-4-nitrophenyl)-3-phenoxypropanamide
PubChem CID108807000
Molecular FormulaC15H14N2O5
Molecular Weight302.29 g/mol
Exact Mass302.09
IUPAC NameN-(2-hydroxy-4-nitrophenyl)-3-phenoxypropanamide
SMILESO=C(CCOc1ccccc1)Nc1ccc([N+](=O)[O-])cc1O
InChIInChI=1S/C15H14N2O5/c18-14-10-11(17(20)21)6-7-13(14)16-15(19)8-9-22-12-4-2-1-3-5-12/h1-7,10,18H,8-9H2,(H,16,19)
InChIKeyPLYFRIUMTHNSPD-UHFFFAOYSA-N
XLogP2.71
TPSA101.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.29
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', '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

N-(2-chloro-4-nitrophenyl)-3-phenoxypropanamide
CID 108795459
N-naphthalen-1-yl-3-(4-nitrophenoxy)propanamide
CID 38741242
N-(2-methylphenyl)-3-(4-nitrophenoxy)propanamide
CID 38770498
5-amino-N-(2-hydroxy-4-nitrophenyl)pentanamide
CID 107744274
3-(4-chlorophenoxy)-N-(2-methyl-5-nitrophenyl)propanamide
CID 108802892
[2-(2-methoxy-5-nitroanilino)-2-oxoethyl] 3-phenoxypropanoate
CID 7841631
N-(2-hydroxy-4-nitrophenyl)-2-(4-hydroxyphenyl)acetamide
CID 107745071
N-(2-methyl-4-nitrophenyl)-4-(2-phenoxyethoxy)benzamide
CID 4952704
N-(2-ethoxy-4-fluorophenyl)-3-(4-nitrophenoxy)propanamide
CID 78892551
N-[(2-hydroxy-5-nitrophenyl)carbamothioyl]-2-phenoxyacetamide
CID 4629121
2-phenoxyethyl N-(2-methoxy-4-nitrophenyl)carbamate
CID 4276439
3-amino-N-(2-hydroxy-5-nitrophenyl)propanamide
CID 107744574

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-4-nitrophenyl)-3-phenoxypropanamide?
The IUPAC name of N-(2-hydroxy-4-nitrophenyl)-3-phenoxypropanamide (CID 108807000) is N-(2-hydroxy-4-nitrophenyl)-3-phenoxypropanamide.
What is the SMILES notation for N-(2-hydroxy-4-nitrophenyl)-3-phenoxypropanamide?
The canonical SMILES for N-(2-hydroxy-4-nitrophenyl)-3-phenoxypropanamide is O=C(CCOc1ccccc1)Nc1ccc([N+](=O)[O-])cc1O.
What is the InChIKey of N-(2-hydroxy-4-nitrophenyl)-3-phenoxypropanamide?
The InChIKey is PLYFRIUMTHNSPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O5/c18-14-10-11(17(20)21)6-7-13(14)16-15(19)8-9-22-12-4-2-1-3-5-12/h1-7,10,18H,8-9H2,(H,16,19).
What are the key properties of N-(2-hydroxy-4-nitrophenyl)-3-phenoxypropanamide?
N-(2-hydroxy-4-nitrophenyl)-3-phenoxypropanamide has a molecular weight of 302.29 g/mol, XLogP of 2.71, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-4-nitrophenyl)-3-phenoxypropanamide is sourced from PubChem (CID 108807000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).