N-[4-(2-methoxyphenoxy)phenyl]-3-methyl-2-nitrobenzamide

C21H18N2O5 — CID 27901759

IUPACN-[4-(2-methoxyphenoxy)phenyl]-3-methyl-2-nitrobenzamide
SMILESCOc1ccccc1Oc1ccc(NC(=O)c2cccc(C)c2[N+](=O)[O-])cc1
InChIInChI=1S/C21H18N2O5/c1-14-6-5-7-17(20(14)23(25)26)21(24)22-15-10-12-16(13-11-15)28-19-9-4-3-8-18(19)27-2/h3-13H,1-2H3,(H,22,24)
InChIKeyCADGNSYMLZOBQW-UHFFFAOYSA-N
MW378.38 g/mol
LogP4.96
Rot. Bonds6

About N-[4-(2-methoxyphenoxy)phenyl]-3-methyl-2-nitrobenzamide

N-[4-(2-methoxyphenoxy)phenyl]-3-methyl-2-nitrobenzamide (PubChem CID 27901759) has the molecular formula C21H18N2O5 and a molecular weight of 378.38 g/mol. Its IUPAC name is N-[4-(2-methoxyphenoxy)phenyl]-3-methyl-2-nitrobenzamide.

Molecular Properties

Compound NameN-[4-(2-methoxyphenoxy)phenyl]-3-methyl-2-nitrobenzamide
PubChem CID27901759
Molecular FormulaC21H18N2O5
Molecular Weight378.38 g/mol
Exact Mass378.12
IUPAC NameN-[4-(2-methoxyphenoxy)phenyl]-3-methyl-2-nitrobenzamide
SMILESCOc1ccccc1Oc1ccc(NC(=O)c2cccc(C)c2[N+](=O)[O-])cc1
InChIInChI=1S/C21H18N2O5/c1-14-6-5-7-17(20(14)23(25)26)21(24)22-15-10-12-16(13-11-15)28-19-9-4-3-8-18(19)27-2/h3-13H,1-2H3,(H,22,24)
InChIKeyCADGNSYMLZOBQW-UHFFFAOYSA-N
XLogP4.96
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.38
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

3-methyl-N-[4-(4-methylphenoxy)phenyl]-2-nitrobenzamide
CID 7925169
N-(4-ethoxyphenyl)-3-methyl-2-nitrobenzamide
CID 889390
N-(4-hydroxyphenyl)-3-methyl-2-nitrobenzamide
CID 28739464
N-(3-benzyl-4-methoxyphenyl)-3-methyl-2-nitrobenzamide
CID 42371636
(2-methoxyphenyl) 3-methyl-2-nitrobenzoate
CID 8778392
5-methoxy-4-(2-methoxyethoxy)-N-[4-(2-methoxyphenoxy)phenyl]-2-nitrobenzamide
CID 24563404
2-nitro-N-[4-[4-[(2-nitrobenzoyl)amino]phenoxy]phenyl]benzamide
CID 2832157
2-(2-amino-2-oxoethoxy)-N-[4-(2-methoxyphenoxy)phenyl]benzamide
CID 24660239
N-[4-(2-methoxyphenoxy)phenyl]-1,2,5-trimethylpyrrole-3-carboxamide
CID 9182918
N-(3,4-difluorophenyl)-3-methyl-2-nitrobenzamide
CID 890522
2,3-dimethoxy-N-(4-phenoxyphenyl)benzamide
CID 912370
[4-[(2-methoxybenzoyl)amino]phenyl] 4-nitrobenzoate
CID 26190244

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methoxyphenoxy)phenyl]-3-methyl-2-nitrobenzamide?
The IUPAC name of N-[4-(2-methoxyphenoxy)phenyl]-3-methyl-2-nitrobenzamide (CID 27901759) is N-[4-(2-methoxyphenoxy)phenyl]-3-methyl-2-nitrobenzamide.
What is the SMILES notation for N-[4-(2-methoxyphenoxy)phenyl]-3-methyl-2-nitrobenzamide?
The canonical SMILES for N-[4-(2-methoxyphenoxy)phenyl]-3-methyl-2-nitrobenzamide is COc1ccccc1Oc1ccc(NC(=O)c2cccc(C)c2[N+](=O)[O-])cc1.
What is the InChIKey of N-[4-(2-methoxyphenoxy)phenyl]-3-methyl-2-nitrobenzamide?
The InChIKey is CADGNSYMLZOBQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O5/c1-14-6-5-7-17(20(14)23(25)26)21(24)22-15-10-12-16(13-11-15)28-19-9-4-3-8-18(19)27-2/h3-13H,1-2H3,(H,22,24).
What are the key properties of N-[4-(2-methoxyphenoxy)phenyl]-3-methyl-2-nitrobenzamide?
N-[4-(2-methoxyphenoxy)phenyl]-3-methyl-2-nitrobenzamide has a molecular weight of 378.38 g/mol, XLogP of 4.96, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methoxyphenoxy)phenyl]-3-methyl-2-nitrobenzamide is sourced from PubChem (CID 27901759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).