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

C15H14N2O4 — CID 779279

IUPACN-[(4-methoxyphenyl)methyl]-3-nitrobenzamide
SMILESCOc1ccc(CNC(=O)c2cccc([N+](=O)[O-])c2)cc1
InChIInChI=1S/C15H14N2O4/c1-21-14-7-5-11(6-8-14)10-16-15(18)12-3-2-4-13(9-12)17(19)20/h2-9H,10H2,1H3,(H,16,18)
InChIKeyGCGOYCUSZGSVHW-UHFFFAOYSA-N
MW286.29 g/mol
LogP2.53
Rot. Bonds5

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

N-[(4-methoxyphenyl)methyl]-3-nitrobenzamide (PubChem CID 779279) has the molecular formula C15H14N2O4 and a molecular weight of 286.29 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-3-nitrobenzamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-3-nitrobenzamide
PubChem CID779279
Molecular FormulaC15H14N2O4
Molecular Weight286.29 g/mol
Exact Mass286.10
IUPAC NameN-[(4-methoxyphenyl)methyl]-3-nitrobenzamide
SMILESCOc1ccc(CNC(=O)c2cccc([N+](=O)[O-])c2)cc1
InChIInChI=1S/C15H14N2O4/c1-21-14-7-5-11(6-8-14)10-16-15(18)12-3-2-4-13(9-12)17(19)20/h2-9H,10H2,1H3,(H,16,18)
InChIKeyGCGOYCUSZGSVHW-UHFFFAOYSA-N
XLogP2.53
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 52.53
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'}

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Related Compounds

4-methoxy-3-nitro-N-phenylbenzamide
CID 7331
4'-Methoxy-3-nitrobenzanilide
CID 306529
4-Methoxy-N-(3-methylphenyl)benzamide
CID 346046
4-nitrophenyl N-benzoylglycinate
CID 569973
Benzenepropanamide, N-(2-methoxyphenyl)-3-nitro-beta-oxo-
CID 113058
Benzamide, 4-methoxy-3-nitro-
CID 82603
5-Amino-3-(4-Methoxyphenyl)isoquinolin-1(2h)-One
CID 71769170
2-nitro-N-(2-phenoxyethyl)benzamide
CID 2253073
N-[2-(4-methoxyphenoxy)ethyl]-3,5-dinitrobenzamide
CID 580264
N-[2-(3-methoxyphenoxy)ethyl]-3,5-dinitrobenzamide
CID 580265
N-[2-(2-methoxyphenoxy)ethyl]-3,5-dinitrobenzamide
CID 580266
N-[4-(aminocarbonyl)phenyl]-4-methoxy-3-nitrobenzamide
CID 874576

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-3-nitrobenzamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-3-nitrobenzamide (CID 779279) is N-[(4-methoxyphenyl)methyl]-3-nitrobenzamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-3-nitrobenzamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-3-nitrobenzamide is COc1ccc(CNC(=O)c2cccc([N+](=O)[O-])c2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-3-nitrobenzamide?
The InChIKey is GCGOYCUSZGSVHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4/c1-21-14-7-5-11(6-8-14)10-16-15(18)12-3-2-4-13(9-12)17(19)20/h2-9H,10H2,1H3,(H,16,18).
What are the key properties of N-[(4-methoxyphenyl)methyl]-3-nitrobenzamide?
N-[(4-methoxyphenyl)methyl]-3-nitrobenzamide has a molecular weight of 286.29 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-3-nitrobenzamide is sourced from PubChem (CID 779279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).