N-benzyl-2-methyl-3-nitrobenzamide

C15H14N2O3 — CID 710984

IUPACN-benzyl-2-methyl-3-nitrobenzamide
SMILESCc1c(C(=O)NCc2ccccc2)cccc1[N+](=O)[O-]
InChIInChI=1S/C15H14N2O3/c1-11-13(8-5-9-14(11)17(19)20)15(18)16-10-12-6-3-2-4-7-12/h2-9H,10H2,1H3,(H,16,18)
InChIKeyYMDCJINEEYPUNL-UHFFFAOYSA-N
MW270.29 g/mol
LogP2.83
Rot. Bonds4

About N-benzyl-2-methyl-3-nitrobenzamide

N-benzyl-2-methyl-3-nitrobenzamide (PubChem CID 710984) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is N-benzyl-2-methyl-3-nitrobenzamide.

Molecular Properties

Compound NameN-benzyl-2-methyl-3-nitrobenzamide
PubChem CID710984
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC NameN-benzyl-2-methyl-3-nitrobenzamide
SMILESCc1c(C(=O)NCc2ccccc2)cccc1[N+](=O)[O-]
InChIInChI=1S/C15H14N2O3/c1-11-13(8-5-9-14(11)17(19)20)15(18)16-10-12-6-3-2-4-7-12/h2-9H,10H2,1H3,(H,16,18)
InChIKeyYMDCJINEEYPUNL-UHFFFAOYSA-N
XLogP2.83
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

2-methyl-3-nitro-N-(pyridin-3-ylmethyl)benzamide
CID 691924
2-methyl-N-[[(2-methyl-3-nitrobenzoyl)amino]methyl]-3-nitrobenzamide
CID 134843322
N-[(3,4-dimethoxyphenyl)methyl]-2-methyl-3-nitrobenzamide
CID 17070151
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-methyl-3-nitrobenzamide
CID 17499102
[(2R)-1-(benzylamino)-1-oxopropan-2-yl] 2-methyl-3-nitrobenzoate
CID 7382304
N-(3,3-diphenylpropyl)-2-methyl-3-nitrobenzamide
CID 4257835
2-hydroxy-3-[(2-methyl-3-nitrobenzoyl)amino]propanoic acid
CID 66167701
N-[(5-ethylthiophen-2-yl)methyl]-2-methyl-3-nitrobenzamide
CID 46466364
[2-(benzylcarbamoylamino)-2-oxoethyl] 2-methyl-3-nitrobenzoate
CID 2564276
N-[4-(benzylsulfamoyl)phenyl]-2-methyl-3-nitrobenzamide
CID 108799454
N-[2-(benzylcarbamoyl)phenyl]-2-methyl-3,5-dinitrobenzamide
CID 17256776
2-methyl-N-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]methyl]-3-nitrobenzamide
CID 108736154

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-methyl-3-nitrobenzamide?
The IUPAC name of N-benzyl-2-methyl-3-nitrobenzamide (CID 710984) is N-benzyl-2-methyl-3-nitrobenzamide.
What is the SMILES notation for N-benzyl-2-methyl-3-nitrobenzamide?
The canonical SMILES for N-benzyl-2-methyl-3-nitrobenzamide is Cc1c(C(=O)NCc2ccccc2)cccc1[N+](=O)[O-].
What is the InChIKey of N-benzyl-2-methyl-3-nitrobenzamide?
The InChIKey is YMDCJINEEYPUNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3/c1-11-13(8-5-9-14(11)17(19)20)15(18)16-10-12-6-3-2-4-7-12/h2-9H,10H2,1H3,(H,16,18).
What are the key properties of N-benzyl-2-methyl-3-nitrobenzamide?
N-benzyl-2-methyl-3-nitrobenzamide has a molecular weight of 270.29 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-methyl-3-nitrobenzamide is sourced from PubChem (CID 710984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).