N-(2-methoxyphenyl)-3-[(4-nitrophenyl)methyl]benzamide

C21H18N2O4 — CID 70867899

IUPACN-(2-methoxyphenyl)-3-[(4-nitrophenyl)methyl]benzamide
SMILESCOc1ccccc1NC(=O)c1cccc(Cc2ccc([N+](=O)[O-])cc2)c1
InChIInChI=1S/C21H18N2O4/c1-27-20-8-3-2-7-19(20)22-21(24)17-6-4-5-16(14-17)13-15-9-11-18(12-10-15)23(25)26/h2-12,14H,13H2,1H3,(H,22,24)
InChIKeyFOFDWGSKXITVIB-UHFFFAOYSA-N
MW362.39 g/mol
LogP4.45
Rot. Bonds6

About N-(2-methoxyphenyl)-3-[(4-nitrophenyl)methyl]benzamide

N-(2-methoxyphenyl)-3-[(4-nitrophenyl)methyl]benzamide (PubChem CID 70867899) has the molecular formula C21H18N2O4 and a molecular weight of 362.39 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-3-[(4-nitrophenyl)methyl]benzamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-3-[(4-nitrophenyl)methyl]benzamide
PubChem CID70867899
Molecular FormulaC21H18N2O4
Molecular Weight362.39 g/mol
Exact Mass362.13
IUPAC NameN-(2-methoxyphenyl)-3-[(4-nitrophenyl)methyl]benzamide
SMILESCOc1ccccc1NC(=O)c1cccc(Cc2ccc([N+](=O)[O-])cc2)c1
InChIInChI=1S/C21H18N2O4/c1-27-20-8-3-2-7-19(20)22-21(24)17-6-4-5-16(14-17)13-15-9-11-18(12-10-15)23(25)26/h2-12,14H,13H2,1H3,(H,22,24)
InChIKeyFOFDWGSKXITVIB-UHFFFAOYSA-N
XLogP4.45
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 54.45
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'}

Analyze N-(2-methoxyphenyl)-3-[(4-nitrophenyl)methyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 3-[(4-nitrophenyl)methyl]benzoate
CID 58869357
1-N,3-N-bis(2-methoxy-4-nitrophenyl)benzene-1,3-dicarboxamide
CID 4588723
N-(2-methoxyphenyl)-3-(methylsulfanylmethyl)benzamide
CID 29371206
5-(2-methoxy-4-nitrophenyl)-N-(2-methoxyphenyl)furan-2-carboxamide
CID 2273249
3-[(4-nitrophenyl)methyl]-N-pyridin-3-ylbenzamide
CID 70867896
3-nitro-N-[2-(2-phenylethoxy)phenyl]benzamide
CID 55674920
2-bromo-N-(2-methoxyphenyl)-5-nitrobenzamide
CID 1371919
2,6-dimethoxy-N-(2-methoxy-4-nitrophenyl)benzamide
CID 4285710
N-(2-ethoxyphenyl)-4-methoxy-3-nitrobenzamide
CID 711588
2-(carbamoylamino)-N-(2-methoxyphenyl)-6-(4-nitrophenyl)sulfanylbenzamide;hydrochloride
CID 141328022
4-benzamido-N-(2-methoxy-4-nitrophenyl)benzamide
CID 17153277
[3-[(2-methoxy-4-nitrophenyl)carbamoyl]phenyl] acetate
CID 108767397

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-3-[(4-nitrophenyl)methyl]benzamide?
The IUPAC name of N-(2-methoxyphenyl)-3-[(4-nitrophenyl)methyl]benzamide (CID 70867899) is N-(2-methoxyphenyl)-3-[(4-nitrophenyl)methyl]benzamide.
What is the SMILES notation for N-(2-methoxyphenyl)-3-[(4-nitrophenyl)methyl]benzamide?
The canonical SMILES for N-(2-methoxyphenyl)-3-[(4-nitrophenyl)methyl]benzamide is COc1ccccc1NC(=O)c1cccc(Cc2ccc([N+](=O)[O-])cc2)c1.
What is the InChIKey of N-(2-methoxyphenyl)-3-[(4-nitrophenyl)methyl]benzamide?
The InChIKey is FOFDWGSKXITVIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O4/c1-27-20-8-3-2-7-19(20)22-21(24)17-6-4-5-16(14-17)13-15-9-11-18(12-10-15)23(25)26/h2-12,14H,13H2,1H3,(H,22,24).
What are the key properties of N-(2-methoxyphenyl)-3-[(4-nitrophenyl)methyl]benzamide?
N-(2-methoxyphenyl)-3-[(4-nitrophenyl)methyl]benzamide has a molecular weight of 362.39 g/mol, XLogP of 4.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-3-[(4-nitrophenyl)methyl]benzamide is sourced from PubChem (CID 70867899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).