2-nitro-N-[(2-phenoxyphenyl)methyl]benzamide

C20H16N2O4 — CID 60599991

IUPAC2-nitro-N-[(2-phenoxyphenyl)methyl]benzamide
SMILESO=C(NCc1ccccc1Oc1ccccc1)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C20H16N2O4/c23-20(17-11-5-6-12-18(17)22(24)25)21-14-15-8-4-7-13-19(15)26-16-9-2-1-3-10-16/h1-13H,14H2,(H,21,23)
InChIKeyRAAYSIYNIZPYMB-UHFFFAOYSA-N
MW348.36 g/mol
LogP4.32
Rot. Bonds6

About 2-nitro-N-[(2-phenoxyphenyl)methyl]benzamide

2-nitro-N-[(2-phenoxyphenyl)methyl]benzamide (PubChem CID 60599991) has the molecular formula C20H16N2O4 and a molecular weight of 348.36 g/mol. Its IUPAC name is 2-nitro-N-[(2-phenoxyphenyl)methyl]benzamide.

Molecular Properties

Compound Name2-nitro-N-[(2-phenoxyphenyl)methyl]benzamide
PubChem CID60599991
Molecular FormulaC20H16N2O4
Molecular Weight348.36 g/mol
Exact Mass348.11
IUPAC Name2-nitro-N-[(2-phenoxyphenyl)methyl]benzamide
SMILESO=C(NCc1ccccc1Oc1ccccc1)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C20H16N2O4/c23-20(17-11-5-6-12-18(17)22(24)25)21-14-15-8-4-7-13-19(15)26-16-9-2-1-3-10-16/h1-13H,14H2,(H,21,23)
InChIKeyRAAYSIYNIZPYMB-UHFFFAOYSA-N
XLogP4.32
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 54.32
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

N-[(2-fluorophenyl)methyl]-2-nitrobenzamide
CID 7924688
N-[[2-(aminomethyl)phenyl]methyl]-2-nitrobenzamide
CID 62951005
N-[(2-chloro-4,5-dimethoxyphenyl)methyl]-2-nitrobenzamide
CID 54785579
N-[[2-(diethylaminomethyl)phenyl]methyl]-2-nitrobenzamide
CID 41439050
(2-phenoxyphenyl)methyl 2-methyl-3-nitrobenzoate
CID 7794848
N-methyl-2-nitro-N-(2-phenoxyphenyl)benzamide
CID 60606388
1-oxido-N-[(2-phenoxyphenyl)methyl]pyridin-1-ium-2-carboxamide
CID 75364438
N-[(2-phenoxyphenyl)methyl]pyrimidine-4-carboxamide
CID 70978530
N-[(4-bromophenyl)methyl]-2-nitrobenzamide
CID 60582772
5-fluoro-N-[(2-hydroxyphenyl)methyl]-2-nitrobenzamide
CID 115735454
2-nitro-N-[4-[4-[(2-nitrobenzoyl)amino]phenoxy]phenyl]benzamide
CID 2832157
(2-nitrophenyl)methylcarbamic acid
CID 18621803

Frequently Asked Questions

What is the IUPAC name of 2-nitro-N-[(2-phenoxyphenyl)methyl]benzamide?
The IUPAC name of 2-nitro-N-[(2-phenoxyphenyl)methyl]benzamide (CID 60599991) is 2-nitro-N-[(2-phenoxyphenyl)methyl]benzamide.
What is the SMILES notation for 2-nitro-N-[(2-phenoxyphenyl)methyl]benzamide?
The canonical SMILES for 2-nitro-N-[(2-phenoxyphenyl)methyl]benzamide is O=C(NCc1ccccc1Oc1ccccc1)c1ccccc1[N+](=O)[O-].
What is the InChIKey of 2-nitro-N-[(2-phenoxyphenyl)methyl]benzamide?
The InChIKey is RAAYSIYNIZPYMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O4/c23-20(17-11-5-6-12-18(17)22(24)25)21-14-15-8-4-7-13-19(15)26-16-9-2-1-3-10-16/h1-13H,14H2,(H,21,23).
What are the key properties of 2-nitro-N-[(2-phenoxyphenyl)methyl]benzamide?
2-nitro-N-[(2-phenoxyphenyl)methyl]benzamide has a molecular weight of 348.36 g/mol, XLogP of 4.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitro-N-[(2-phenoxyphenyl)methyl]benzamide is sourced from PubChem (CID 60599991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).