N-[(2-hydroxy-5-nitrophenyl)methyl]-4-(phenoxymethyl)benzamide

C21H18N2O5 — CID 24818295

IUPACN-[(2-hydroxy-5-nitrophenyl)methyl]-4-(phenoxymethyl)benzamide
SMILESO=C(NCc1cc([N+](=O)[O-])ccc1O)c1ccc(COc2ccccc2)cc1
InChIInChI=1S/C21H18N2O5/c24-20-11-10-18(23(26)27)12-17(20)13-22-21(25)16-8-6-15(7-9-16)14-28-19-4-2-1-3-5-19/h1-12,24H,13-14H2,(H,22,25)
InChIKeyZYSHYUDNGIPRBJ-UHFFFAOYSA-N
MW378.38 g/mol
LogP3.81
Rot. Bonds7

About N-[(2-hydroxy-5-nitrophenyl)methyl]-4-(phenoxymethyl)benzamide

N-[(2-hydroxy-5-nitrophenyl)methyl]-4-(phenoxymethyl)benzamide (PubChem CID 24818295) has the molecular formula C21H18N2O5 and a molecular weight of 378.38 g/mol. Its IUPAC name is N-[(2-hydroxy-5-nitrophenyl)methyl]-4-(phenoxymethyl)benzamide.

Molecular Properties

Compound NameN-[(2-hydroxy-5-nitrophenyl)methyl]-4-(phenoxymethyl)benzamide
PubChem CID24818295
Molecular FormulaC21H18N2O5
Molecular Weight378.38 g/mol
Exact Mass378.12
IUPAC NameN-[(2-hydroxy-5-nitrophenyl)methyl]-4-(phenoxymethyl)benzamide
SMILESO=C(NCc1cc([N+](=O)[O-])ccc1O)c1ccc(COc2ccccc2)cc1
InChIInChI=1S/C21H18N2O5/c24-20-11-10-18(23(26)27)12-17(20)13-22-21(25)16-8-6-15(7-9-16)14-28-19-4-2-1-3-5-19/h1-12,24H,13-14H2,(H,22,25)
InChIKeyZYSHYUDNGIPRBJ-UHFFFAOYSA-N
XLogP3.81
TPSA101.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.38
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', '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-hydroxy-5-nitrophenyl)methyl]-2-[(2-phenoxyacetyl)amino]acetamide
CID 46521650
4-ethoxy-N-[2-[(2-hydroxy-5-nitrophenyl)methylamino]-2-oxoethyl]benzamide
CID 46521637
N-[(2-hydroxy-5-nitrophenyl)methylideneamino]-4-phenylmethoxybenzamide
CID 3098486
N-[(2-hydroxy-5-nitrophenyl)methyl]-6-[(1S)-1-phenylethoxy]pyridine-3-carboxamide
CID 95158004
N-(2-methyl-4-nitrophenyl)-4-phenylmethoxybenzamide
CID 2916153
1-nitro-4-[(4-phenylmethoxyphenoxy)methyl]benzene
CID 561294
3-nitro-N-[2-oxo-2-[(3-phenylmethoxyphenyl)methylamino]ethyl]benzamide
CID 60515233
4-[(4-bromophenyl)methoxy]-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]benzamide
CID 171131713
N-[(3,4-dimethoxyphenyl)methyl]-4-(phenoxymethyl)benzamide
CID 112789277
4-nitro-N-[[(4-phenylmethoxybenzoyl)amino]carbamothioyl]benzamide
CID 4933344
N-[(3-ethoxyphenyl)methyl]-4-nitrobenzamide
CID 71820489
2,3-dichloro-N-[(2-hydroxy-5-nitrophenyl)methyl]benzamide
CID 17404036

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxy-5-nitrophenyl)methyl]-4-(phenoxymethyl)benzamide?
The IUPAC name of N-[(2-hydroxy-5-nitrophenyl)methyl]-4-(phenoxymethyl)benzamide (CID 24818295) is N-[(2-hydroxy-5-nitrophenyl)methyl]-4-(phenoxymethyl)benzamide.
What is the SMILES notation for N-[(2-hydroxy-5-nitrophenyl)methyl]-4-(phenoxymethyl)benzamide?
The canonical SMILES for N-[(2-hydroxy-5-nitrophenyl)methyl]-4-(phenoxymethyl)benzamide is O=C(NCc1cc([N+](=O)[O-])ccc1O)c1ccc(COc2ccccc2)cc1.
What is the InChIKey of N-[(2-hydroxy-5-nitrophenyl)methyl]-4-(phenoxymethyl)benzamide?
The InChIKey is ZYSHYUDNGIPRBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O5/c24-20-11-10-18(23(26)27)12-17(20)13-22-21(25)16-8-6-15(7-9-16)14-28-19-4-2-1-3-5-19/h1-12,24H,13-14H2,(H,22,25).
What are the key properties of N-[(2-hydroxy-5-nitrophenyl)methyl]-4-(phenoxymethyl)benzamide?
N-[(2-hydroxy-5-nitrophenyl)methyl]-4-(phenoxymethyl)benzamide has a molecular weight of 378.38 g/mol, XLogP of 3.81, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxy-5-nitrophenyl)methyl]-4-(phenoxymethyl)benzamide is sourced from PubChem (CID 24818295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).