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

C20H16N2O4 — CID 60606388

IUPACN-methyl-2-nitro-N-(2-phenoxyphenyl)benzamide
SMILESCN(C(=O)c1ccccc1[N+](=O)[O-])c1ccccc1Oc1ccccc1
InChIInChI=1S/C20H16N2O4/c1-21(20(23)16-11-5-6-12-17(16)22(24)25)18-13-7-8-14-19(18)26-15-9-3-2-4-10-15/h2-14H,1H3
InChIKeyBYPYWFRWEZNUBH-UHFFFAOYSA-N
MW348.36 g/mol
LogP4.66
Rot. Bonds5

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

N-methyl-2-nitro-N-(2-phenoxyphenyl)benzamide (PubChem CID 60606388) has the molecular formula C20H16N2O4 and a molecular weight of 348.36 g/mol. Its IUPAC name is N-methyl-2-nitro-N-(2-phenoxyphenyl)benzamide.

Molecular Properties

Compound NameN-methyl-2-nitro-N-(2-phenoxyphenyl)benzamide
PubChem CID60606388
Molecular FormulaC20H16N2O4
Molecular Weight348.36 g/mol
Exact Mass348.11
IUPAC NameN-methyl-2-nitro-N-(2-phenoxyphenyl)benzamide
SMILESCN(C(=O)c1ccccc1[N+](=O)[O-])c1ccccc1Oc1ccccc1
InChIInChI=1S/C20H16N2O4/c1-21(20(23)16-11-5-6-12-17(16)22(24)25)18-13-7-8-14-19(18)26-15-9-3-2-4-10-15/h2-14H,1H3
InChIKeyBYPYWFRWEZNUBH-UHFFFAOYSA-N
XLogP4.66
TPSA72.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 54.66
H-Bond Donors ≤ 50
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

2-nitro-N-[(2-phenoxyphenyl)methyl]benzamide
CID 60599991
N-methoxy-N-methyl-2-nitrobenzamide
CID 4779158
2-(2-nitrophenoxy)benzoic acid
CID 19922477
N,N-dimethyl-2-(4-nitrophenoxy)benzamide
CID 70538094
1-(2-nitro-6-phenoxyphenyl)propan-1-one
CID 174888604
1-(4-methylphenoxy)-2-nitrobenzene
CID 3377310
N-methyl-N-(2-methyl-3-nitrophenyl)benzamide
CID 13047995
N,4-dimethyl-3-nitro-N-(2-phenoxyphenyl)benzenesulfonamide
CID 60606577
(2-phenoxyphenyl)methyl 2-methyl-3-nitrobenzoate
CID 7794848
benzene;2-nitrobenzoic acid
CID 19891435
N-methyl-N-(2-phenoxyphenyl)pentanamide
CID 60606428
ethane;methane;1-(2-nitrophenyl)ethanone
CID 161143607

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-nitro-N-(2-phenoxyphenyl)benzamide?
The IUPAC name of N-methyl-2-nitro-N-(2-phenoxyphenyl)benzamide (CID 60606388) is N-methyl-2-nitro-N-(2-phenoxyphenyl)benzamide.
What is the SMILES notation for N-methyl-2-nitro-N-(2-phenoxyphenyl)benzamide?
The canonical SMILES for N-methyl-2-nitro-N-(2-phenoxyphenyl)benzamide is CN(C(=O)c1ccccc1[N+](=O)[O-])c1ccccc1Oc1ccccc1.
What is the InChIKey of N-methyl-2-nitro-N-(2-phenoxyphenyl)benzamide?
The InChIKey is BYPYWFRWEZNUBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O4/c1-21(20(23)16-11-5-6-12-17(16)22(24)25)18-13-7-8-14-19(18)26-15-9-3-2-4-10-15/h2-14H,1H3.
What are the key properties of N-methyl-2-nitro-N-(2-phenoxyphenyl)benzamide?
N-methyl-2-nitro-N-(2-phenoxyphenyl)benzamide has a molecular weight of 348.36 g/mol, XLogP of 4.66, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-nitro-N-(2-phenoxyphenyl)benzamide is sourced from PubChem (CID 60606388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).