N-(2-hydroxy-6-nitrophenyl)-3-phenylpropanamide

C15H14N2O4 — CID 107681392

IUPACN-(2-hydroxy-6-nitrophenyl)-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)Nc1c(O)cccc1[N+](=O)[O-]
InChIInChI=1S/C15H14N2O4/c18-13-8-4-7-12(17(20)21)15(13)16-14(19)10-9-11-5-2-1-3-6-11/h1-8,18H,9-10H2,(H,16,19)
InChIKeyVVYKQZRJGAIOGM-UHFFFAOYSA-N
MW286.29 g/mol
LogP2.87
Rot. Bonds5

About N-(2-hydroxy-6-nitrophenyl)-3-phenylpropanamide

N-(2-hydroxy-6-nitrophenyl)-3-phenylpropanamide (PubChem CID 107681392) has the molecular formula C15H14N2O4 and a molecular weight of 286.29 g/mol. Its IUPAC name is N-(2-hydroxy-6-nitrophenyl)-3-phenylpropanamide.

Molecular Properties

Compound NameN-(2-hydroxy-6-nitrophenyl)-3-phenylpropanamide
PubChem CID107681392
Molecular FormulaC15H14N2O4
Molecular Weight286.29 g/mol
Exact Mass286.10
IUPAC NameN-(2-hydroxy-6-nitrophenyl)-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)Nc1c(O)cccc1[N+](=O)[O-]
InChIInChI=1S/C15H14N2O4/c18-13-8-4-7-12(17(20)21)15(13)16-14(19)10-9-11-5-2-1-3-6-11/h1-8,18H,9-10H2,(H,16,19)
InChIKeyVVYKQZRJGAIOGM-UHFFFAOYSA-N
XLogP2.87
TPSA92.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

4-chloro-N-(2-hydroxy-6-nitrophenyl)butanamide
CID 107679551
N-(2-hydroxy-6-nitrophenyl)-2-phenoxyacetamide
CID 107681256
N-(2-hydroxy-6-nitrophenyl)-3-oxobutanamide
CID 107681107
N-(2-hydroxy-6-nitrophenyl)but-3-enamide
CID 107681224
3-cyclohexyl-N-(2-hydroxy-6-nitrophenyl)propanamide
CID 107681385
2-amino-N-[2-(2-hydroxy-6-nitroanilino)-2-oxoethyl]acetamide
CID 107681048
N-(2-hydroxy-6-nitrophenyl)-2-propan-2-yloxyacetamide
CID 107681464
N-(2-hydroxy-6-nitrophenyl)-3-methylpentanamide
CID 107681171
N-[2-(2-nitroanilino)ethyl]-3-phenylpropanamide
CID 9278055
N-(2-amino-5-chloro-3-nitrophenyl)-3-phenylpropanamide
CID 118727818
N-(2-hydroxy-6-nitrophenyl)prop-2-enamide
CID 107679556
2-chloro-N-(2-hydroxy-6-nitrophenyl)benzamide
CID 107681178

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-6-nitrophenyl)-3-phenylpropanamide?
The IUPAC name of N-(2-hydroxy-6-nitrophenyl)-3-phenylpropanamide (CID 107681392) is N-(2-hydroxy-6-nitrophenyl)-3-phenylpropanamide.
What is the SMILES notation for N-(2-hydroxy-6-nitrophenyl)-3-phenylpropanamide?
The canonical SMILES for N-(2-hydroxy-6-nitrophenyl)-3-phenylpropanamide is O=C(CCc1ccccc1)Nc1c(O)cccc1[N+](=O)[O-].
What is the InChIKey of N-(2-hydroxy-6-nitrophenyl)-3-phenylpropanamide?
The InChIKey is VVYKQZRJGAIOGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4/c18-13-8-4-7-12(17(20)21)15(13)16-14(19)10-9-11-5-2-1-3-6-11/h1-8,18H,9-10H2,(H,16,19).
What are the key properties of N-(2-hydroxy-6-nitrophenyl)-3-phenylpropanamide?
N-(2-hydroxy-6-nitrophenyl)-3-phenylpropanamide has a molecular weight of 286.29 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-6-nitrophenyl)-3-phenylpropanamide is sourced from PubChem (CID 107681392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).