2-methoxy-N-[(2-methoxyphenyl)methyl]-5-nitrobenzamide

C16H16N2O5 — CID 9270256

IUPAC2-methoxy-N-[(2-methoxyphenyl)methyl]-5-nitrobenzamide
SMILESCOc1ccccc1CNC(=O)c1cc([N+](=O)[O-])ccc1OC
InChIInChI=1S/C16H16N2O5/c1-22-14-6-4-3-5-11(14)10-17-16(19)13-9-12(18(20)21)7-8-15(13)23-2/h3-9H,10H2,1-2H3,(H,17,19)
InChIKeyNEKKSEPMNNYVPX-UHFFFAOYSA-N
MW316.31 g/mol
LogP2.54
Rot. Bonds6

About 2-methoxy-N-[(2-methoxyphenyl)methyl]-5-nitrobenzamide

2-methoxy-N-[(2-methoxyphenyl)methyl]-5-nitrobenzamide (PubChem CID 9270256) has the molecular formula C16H16N2O5 and a molecular weight of 316.31 g/mol. Its IUPAC name is 2-methoxy-N-[(2-methoxyphenyl)methyl]-5-nitrobenzamide.

Molecular Properties

Compound Name2-methoxy-N-[(2-methoxyphenyl)methyl]-5-nitrobenzamide
PubChem CID9270256
Molecular FormulaC16H16N2O5
Molecular Weight316.31 g/mol
Exact Mass316.11
IUPAC Name2-methoxy-N-[(2-methoxyphenyl)methyl]-5-nitrobenzamide
SMILESCOc1ccccc1CNC(=O)c1cc([N+](=O)[O-])ccc1OC
InChIInChI=1S/C16H16N2O5/c1-22-14-6-4-3-5-11(14)10-17-16(19)13-9-12(18(20)21)7-8-15(13)23-2/h3-9H,10H2,1-2H3,(H,17,19)
InChIKeyNEKKSEPMNNYVPX-UHFFFAOYSA-N
XLogP2.54
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.31
LogP ≤ 52.54
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

N-[(2-chlorophenyl)methyl]-2-methoxy-5-nitrobenzamide
CID 9209754
2-methoxy-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-5-nitrobenzamide
CID 9481549
5-fluoro-2-methoxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 31069159
2,4,5-trimethoxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 912738
2-methoxy-5-nitro-N-prop-2-ynylbenzamide
CID 18110111
N-(2-chloroprop-2-enyl)-2-methoxy-5-nitrobenzamide
CID 113238601
N-[(2-methoxyphenyl)methyl]-6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 9344806
N-[(2-methoxy-5-nitrophenyl)methyl]acetamide
CID 20650534
N-[2-(4-fluorophenyl)ethyl]-2-methoxy-5-nitrobenzamide
CID 9210501
2-methoxy-3-[(2-methoxy-5-nitrobenzoyl)amino]propanoic acid
CID 106107789
N-(2,2-difluoro-3-hydroxypropyl)-2-methoxy-5-nitrobenzamide
CID 104857202
N-[(4-butoxy-3-methoxyphenyl)methyl]-2-methoxy-5-nitrobenzamide
CID 39971109

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[(2-methoxyphenyl)methyl]-5-nitrobenzamide?
The IUPAC name of 2-methoxy-N-[(2-methoxyphenyl)methyl]-5-nitrobenzamide (CID 9270256) is 2-methoxy-N-[(2-methoxyphenyl)methyl]-5-nitrobenzamide.
What is the SMILES notation for 2-methoxy-N-[(2-methoxyphenyl)methyl]-5-nitrobenzamide?
The canonical SMILES for 2-methoxy-N-[(2-methoxyphenyl)methyl]-5-nitrobenzamide is COc1ccccc1CNC(=O)c1cc([N+](=O)[O-])ccc1OC.
What is the InChIKey of 2-methoxy-N-[(2-methoxyphenyl)methyl]-5-nitrobenzamide?
The InChIKey is NEKKSEPMNNYVPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O5/c1-22-14-6-4-3-5-11(14)10-17-16(19)13-9-12(18(20)21)7-8-15(13)23-2/h3-9H,10H2,1-2H3,(H,17,19).
What are the key properties of 2-methoxy-N-[(2-methoxyphenyl)methyl]-5-nitrobenzamide?
2-methoxy-N-[(2-methoxyphenyl)methyl]-5-nitrobenzamide has a molecular weight of 316.31 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(2-methoxyphenyl)methyl]-5-nitrobenzamide is sourced from PubChem (CID 9270256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).