4-methoxy-N-[(3-methoxyphenyl)methyl]-3-nitrobenzamide

C16H16N2O5 — CID 7749788

IUPAC4-methoxy-N-[(3-methoxyphenyl)methyl]-3-nitrobenzamide
SMILESCOc1cccc(CNC(=O)c2ccc(OC)c([N+](=O)[O-])c2)c1
InChIInChI=1S/C16H16N2O5/c1-22-13-5-3-4-11(8-13)10-17-16(19)12-6-7-15(23-2)14(9-12)18(20)21/h3-9H,10H2,1-2H3,(H,17,19)
InChIKeyASYNQNJPCDZSQE-UHFFFAOYSA-N
MW316.31 g/mol
LogP2.54
Rot. Bonds6

About 4-methoxy-N-[(3-methoxyphenyl)methyl]-3-nitrobenzamide

4-methoxy-N-[(3-methoxyphenyl)methyl]-3-nitrobenzamide (PubChem CID 7749788) has the molecular formula C16H16N2O5 and a molecular weight of 316.31 g/mol. Its IUPAC name is 4-methoxy-N-[(3-methoxyphenyl)methyl]-3-nitrobenzamide.

Molecular Properties

Compound Name4-methoxy-N-[(3-methoxyphenyl)methyl]-3-nitrobenzamide
PubChem CID7749788
Molecular FormulaC16H16N2O5
Molecular Weight316.31 g/mol
Exact Mass316.11
IUPAC Name4-methoxy-N-[(3-methoxyphenyl)methyl]-3-nitrobenzamide
SMILESCOc1cccc(CNC(=O)c2ccc(OC)c([N+](=O)[O-])c2)c1
InChIInChI=1S/C16H16N2O5/c1-22-13-5-3-4-11(8-13)10-17-16(19)12-6-7-15(23-2)14(9-12)18(20)21/h3-9H,10H2,1-2H3,(H,17,19)
InChIKeyASYNQNJPCDZSQE-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

4-bromo-N-[(3-methoxyphenyl)methyl]-3-nitrobenzamide
CID 9495712
N-[(3-carbamoylphenyl)methyl]-4-methoxy-3-nitrobenzamide
CID 32636593
3-N-[(3-methoxyphenyl)methyl]-1-N-[(4-nitrophenyl)methyl]benzene-1,3-dicarboxamide
CID 10136847
3-ethoxy-4-methoxy-N-[(3-methoxyphenyl)methyl]benzamide
CID 38652199
3-(4-acetyl-2-nitrophenoxy)-N-benzylbenzamide
CID 9112726
N-[5-chloro-2-[(3-methoxyphenyl)methoxy]phenyl]-4-methoxy-3-nitrobenzamide
CID 132816125
N-[2-(3-chlorophenyl)ethyl]-4-methoxy-3-nitrobenzamide
CID 27838571
4-methoxy-N-[2-(4-methoxyphenoxy)ethyl]-3-nitrobenzamide
CID 41442755
4-[(3-methoxyphenyl)methylcarbamoyl]benzoic acid
CID 61028664
N-[[3-[[(3,4-dimethoxybenzoyl)amino]methyl]phenyl]methyl]-3,4-dimethoxybenzamide
CID 2841934
3,4-difluoro-N-[(3-methoxyphenyl)methyl]benzamide
CID 30491738
3-N-[(3-methoxyphenyl)methyl]-1-N-[(4-methoxyphenyl)methyl]benzene-1,3-dicarboxamide
CID 10272573

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[(3-methoxyphenyl)methyl]-3-nitrobenzamide?
The IUPAC name of 4-methoxy-N-[(3-methoxyphenyl)methyl]-3-nitrobenzamide (CID 7749788) is 4-methoxy-N-[(3-methoxyphenyl)methyl]-3-nitrobenzamide.
What is the SMILES notation for 4-methoxy-N-[(3-methoxyphenyl)methyl]-3-nitrobenzamide?
The canonical SMILES for 4-methoxy-N-[(3-methoxyphenyl)methyl]-3-nitrobenzamide is COc1cccc(CNC(=O)c2ccc(OC)c([N+](=O)[O-])c2)c1.
What is the InChIKey of 4-methoxy-N-[(3-methoxyphenyl)methyl]-3-nitrobenzamide?
The InChIKey is ASYNQNJPCDZSQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O5/c1-22-13-5-3-4-11(8-13)10-17-16(19)12-6-7-15(23-2)14(9-12)18(20)21/h3-9H,10H2,1-2H3,(H,17,19).
What are the key properties of 4-methoxy-N-[(3-methoxyphenyl)methyl]-3-nitrobenzamide?
4-methoxy-N-[(3-methoxyphenyl)methyl]-3-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 4-methoxy-N-[(3-methoxyphenyl)methyl]-3-nitrobenzamide is sourced from PubChem (CID 7749788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).