N-(2-acetamido-5-methoxyphenyl)-3-nitrobenzamide

C16H15N3O5 — CID 51092432

IUPACN-(2-acetamido-5-methoxyphenyl)-3-nitrobenzamide
SMILESCOc1ccc(NC(C)=O)c(NC(=O)c2cccc([N+](=O)[O-])c2)c1
InChIInChI=1S/C16H15N3O5/c1-10(20)17-14-7-6-13(24-2)9-15(14)18-16(21)11-4-3-5-12(8-11)19(22)23/h3-9H,1-2H3,(H,17,20)(H,18,21)
InChIKeyONWULOWJEXEANO-UHFFFAOYSA-N
MW329.31 g/mol
LogP2.81
Rot. Bonds5

About N-(2-acetamido-5-methoxyphenyl)-3-nitrobenzamide

N-(2-acetamido-5-methoxyphenyl)-3-nitrobenzamide (PubChem CID 51092432) has the molecular formula C16H15N3O5 and a molecular weight of 329.31 g/mol. Its IUPAC name is N-(2-acetamido-5-methoxyphenyl)-3-nitrobenzamide.

Molecular Properties

Compound NameN-(2-acetamido-5-methoxyphenyl)-3-nitrobenzamide
PubChem CID51092432
Molecular FormulaC16H15N3O5
Molecular Weight329.31 g/mol
Exact Mass329.10
IUPAC NameN-(2-acetamido-5-methoxyphenyl)-3-nitrobenzamide
SMILESCOc1ccc(NC(C)=O)c(NC(=O)c2cccc([N+](=O)[O-])c2)c1
InChIInChI=1S/C16H15N3O5/c1-10(20)17-14-7-6-13(24-2)9-15(14)18-16(21)11-4-3-5-12(8-11)19(22)23/h3-9H,1-2H3,(H,17,20)(H,18,21)
InChIKeyONWULOWJEXEANO-UHFFFAOYSA-N
XLogP2.81
TPSA110.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.31
LogP ≤ 52.81
H-Bond Donors ≤ 52
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-acetamidophenyl)-3-nitrobenzamide
CID 3509024
3-methoxy-N-(2-methyl-4-nitrophenyl)benzamide
CID 4992628
3-nitro-N-[2-[(3-nitrobenzoyl)amino]phenyl]benzamide
CID 4118809
3-nitro-N-[3-[(3-nitrobenzoyl)amino]naphthalen-2-yl]benzamide
CID 4301788
N-(3-methoxyphenyl)-2-[(3-nitrobenzoyl)amino]benzamide
CID 3548121
1-N,3-N-bis(2-methoxy-4-nitrophenyl)benzene-1,3-dicarboxamide
CID 4588723
N-(4-methoxyphenyl)sulfonyl-3-nitrobenzamide
CID 22007146
1-N,3-N-bis(2,5-dimethoxyphenyl)-5-nitrobenzene-1,3-dicarboxamide
CID 1116125
N-(2,4-dinitrophenyl)-3-nitrobenzamide
CID 3427628
[3-[(2-methoxy-4-nitrophenyl)carbamoyl]phenyl] acetate
CID 108767397
N-[2-(4-methoxyphenoxy)-5-(trifluoromethyl)phenyl]-3-nitrobenzamide
CID 1341626
N-(4-methoxy-2-nitrophenyl)-3-methylsulfanylbenzamide
CID 7565243

Frequently Asked Questions

What is the IUPAC name of N-(2-acetamido-5-methoxyphenyl)-3-nitrobenzamide?
The IUPAC name of N-(2-acetamido-5-methoxyphenyl)-3-nitrobenzamide (CID 51092432) is N-(2-acetamido-5-methoxyphenyl)-3-nitrobenzamide.
What is the SMILES notation for N-(2-acetamido-5-methoxyphenyl)-3-nitrobenzamide?
The canonical SMILES for N-(2-acetamido-5-methoxyphenyl)-3-nitrobenzamide is COc1ccc(NC(C)=O)c(NC(=O)c2cccc([N+](=O)[O-])c2)c1.
What is the InChIKey of N-(2-acetamido-5-methoxyphenyl)-3-nitrobenzamide?
The InChIKey is ONWULOWJEXEANO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O5/c1-10(20)17-14-7-6-13(24-2)9-15(14)18-16(21)11-4-3-5-12(8-11)19(22)23/h3-9H,1-2H3,(H,17,20)(H,18,21).
What are the key properties of N-(2-acetamido-5-methoxyphenyl)-3-nitrobenzamide?
N-(2-acetamido-5-methoxyphenyl)-3-nitrobenzamide has a molecular weight of 329.31 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamido-5-methoxyphenyl)-3-nitrobenzamide is sourced from PubChem (CID 51092432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).