3-(methoxymethyl)-N-[(2-nitrophenyl)methyl]benzamide

C16H16N2O4 — CID 87004965

IUPAC3-(methoxymethyl)-N-[(2-nitrophenyl)methyl]benzamide
SMILESCOCc1cccc(C(=O)NCc2ccccc2[N+](=O)[O-])c1
InChIInChI=1S/C16H16N2O4/c1-22-11-12-5-4-7-13(9-12)16(19)17-10-14-6-2-3-8-15(14)18(20)21/h2-9H,10-11H2,1H3,(H,17,19)
InChIKeyWLQPQNCYXRRFFF-UHFFFAOYSA-N
MW300.31 g/mol
LogP2.67
Rot. Bonds6

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

3-(methoxymethyl)-N-[(2-nitrophenyl)methyl]benzamide (PubChem CID 87004965) has the molecular formula C16H16N2O4 and a molecular weight of 300.31 g/mol. Its IUPAC name is 3-(methoxymethyl)-N-[(2-nitrophenyl)methyl]benzamide.

Molecular Properties

Compound Name3-(methoxymethyl)-N-[(2-nitrophenyl)methyl]benzamide
PubChem CID87004965
Molecular FormulaC16H16N2O4
Molecular Weight300.31 g/mol
Exact Mass300.11
IUPAC Name3-(methoxymethyl)-N-[(2-nitrophenyl)methyl]benzamide
SMILESCOCc1cccc(C(=O)NCc2ccccc2[N+](=O)[O-])c1
InChIInChI=1S/C16H16N2O4/c1-22-11-12-5-4-7-13(9-12)16(19)17-10-14-6-2-3-8-15(14)18(20)21/h2-9H,10-11H2,1H3,(H,17,19)
InChIKeyWLQPQNCYXRRFFF-UHFFFAOYSA-N
XLogP2.67
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 52.67
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 3-(methoxymethyl)-N-[(2-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

3-(methoxymethyl)-N-[2-(2-nitroanilino)ethyl]benzamide
CID 9278890
4-hydroxy-N-[[2-(methoxymethyl)phenyl]methyl]-3-nitrobenzamide
CID 99717489
N-[[2-(methoxymethyl)phenyl]methyl]-2-(2-nitrophenyl)acetamide
CID 32602817
2-(3-methoxyphenyl)-N-[(2-nitrophenyl)methyl]acetamide
CID 87004950
N-[(4-fluorophenyl)methyl]-3-(methoxymethyl)benzamide
CID 7603190
N-[(2-nitrophenyl)methyl]-1H-pyrazole-4-carboxamide
CID 60979424
4-methylsulfanyl-N-[(2-nitrophenyl)methyl]benzamide
CID 78891109
3-(methoxymethyl)-N-propylbenzamide
CID 60667721
3-(methoxymethyl)-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 31115342
N-[[4-(ethoxymethyl)phenyl]methyl]-3-(methoxymethyl)benzamide
CID 37358180
N-(furan-2-ylmethyl)-3-(methoxymethyl)benzamide
CID 35808973
3-(methoxymethyl)-N-prop-2-ynylbenzamide
CID 51219689

Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-N-[(2-nitrophenyl)methyl]benzamide?
The IUPAC name of 3-(methoxymethyl)-N-[(2-nitrophenyl)methyl]benzamide (CID 87004965) is 3-(methoxymethyl)-N-[(2-nitrophenyl)methyl]benzamide.
What is the SMILES notation for 3-(methoxymethyl)-N-[(2-nitrophenyl)methyl]benzamide?
The canonical SMILES for 3-(methoxymethyl)-N-[(2-nitrophenyl)methyl]benzamide is COCc1cccc(C(=O)NCc2ccccc2[N+](=O)[O-])c1.
What is the InChIKey of 3-(methoxymethyl)-N-[(2-nitrophenyl)methyl]benzamide?
The InChIKey is WLQPQNCYXRRFFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4/c1-22-11-12-5-4-7-13(9-12)16(19)17-10-14-6-2-3-8-15(14)18(20)21/h2-9H,10-11H2,1H3,(H,17,19).
What are the key properties of 3-(methoxymethyl)-N-[(2-nitrophenyl)methyl]benzamide?
3-(methoxymethyl)-N-[(2-nitrophenyl)methyl]benzamide has a molecular weight of 300.31 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-N-[(2-nitrophenyl)methyl]benzamide is sourced from PubChem (CID 87004965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).