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

C16H16N2O4 — CID 7925766

IUPACN-[(4-methoxyphenyl)methyl]-N-methyl-4-nitrobenzamide
SMILESCOc1ccc(CN(C)C(=O)c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C16H16N2O4/c1-17(11-12-3-9-15(22-2)10-4-12)16(19)13-5-7-14(8-6-13)18(20)21/h3-10H,11H2,1-2H3
InChIKeyZHBBTJDAIXJRPT-UHFFFAOYSA-N
MW300.31 g/mol
LogP2.88
Rot. Bonds5

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

N-[(4-methoxyphenyl)methyl]-N-methyl-4-nitrobenzamide (PubChem CID 7925766) has the molecular formula C16H16N2O4 and a molecular weight of 300.31 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-N-methyl-4-nitrobenzamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-N-methyl-4-nitrobenzamide
PubChem CID7925766
Molecular FormulaC16H16N2O4
Molecular Weight300.31 g/mol
Exact Mass300.11
IUPAC NameN-[(4-methoxyphenyl)methyl]-N-methyl-4-nitrobenzamide
SMILESCOc1ccc(CN(C)C(=O)c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C16H16N2O4/c1-17(11-12-3-9-15(22-2)10-4-12)16(19)13-5-7-14(8-6-13)18(20)21/h3-10H,11H2,1-2H3
InChIKeyZHBBTJDAIXJRPT-UHFFFAOYSA-N
XLogP2.88
TPSA72.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 52.88
H-Bond Donors ≤ 50
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'}

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Related Compounds

N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-4-nitrobenzamide
CID 9298236
N-[(4-methoxyphenyl)methyl]-N-[2-(4-nitrophenyl)ethyl]benzamide
CID 10938001
4-cyano-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide
CID 23508555
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N-methyl-4-nitrobenzamide
CID 55612063
2-chloro-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-4-nitrobenzamide
CID 8857208
N-methyl-4-nitro-N-(thiophen-3-ylmethyl)benzamide
CID 27889649
N-[(4-methoxyphenyl)methyl]-N-methyl-5-nitrothiophene-2-carboxamide
CID 31240712
N-[(6-methoxynaphthalen-2-yl)methyl]-N,3-dimethyl-4-nitrobenzamide
CID 9482656
2-[(4-methoxyphenyl)methyl-[2-(4-nitrophenyl)acetyl]amino]acetic acid
CID 174174199
N-[(4-methoxyphenyl)methyl]-N-methyl-2-(5-nitro-1,3-dioxoisoindol-2-yl)acetamide
CID 41476438
4-fluoro-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-3-nitrobenzamide
CID 9482800
6-fluoro-N-[(4-methoxyphenyl)methyl]-N-methylpyridine-3-carboxamide
CID 63979680

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-N-methyl-4-nitrobenzamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-N-methyl-4-nitrobenzamide (CID 7925766) is N-[(4-methoxyphenyl)methyl]-N-methyl-4-nitrobenzamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-N-methyl-4-nitrobenzamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-N-methyl-4-nitrobenzamide is COc1ccc(CN(C)C(=O)c2ccc([N+](=O)[O-])cc2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-N-methyl-4-nitrobenzamide?
The InChIKey is ZHBBTJDAIXJRPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4/c1-17(11-12-3-9-15(22-2)10-4-12)16(19)13-5-7-14(8-6-13)18(20)21/h3-10H,11H2,1-2H3.
What are the key properties of N-[(4-methoxyphenyl)methyl]-N-methyl-4-nitrobenzamide?
N-[(4-methoxyphenyl)methyl]-N-methyl-4-nitrobenzamide has a molecular weight of 300.31 g/mol, XLogP of 2.88, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-N-methyl-4-nitrobenzamide is sourced from PubChem (CID 7925766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).