5-methoxy-N-[4-(2-methylpropanoylamino)phenyl]-2-nitrobenzamide

C18H19N3O5 — CID 47847255

IUPAC5-methoxy-N-[4-(2-methylpropanoylamino)phenyl]-2-nitrobenzamide
SMILESCOc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(NC(=O)C(C)C)cc2)c1
InChIInChI=1S/C18H19N3O5/c1-11(2)17(22)19-12-4-6-13(7-5-12)20-18(23)15-10-14(26-3)8-9-16(15)21(24)25/h4-11H,1-3H3,(H,19,22)(H,20,23)
InChIKeyXYTYHCXSYCWSIU-UHFFFAOYSA-N
MW357.37 g/mol
LogP3.45
Rot. Bonds6

About 5-methoxy-N-[4-(2-methylpropanoylamino)phenyl]-2-nitrobenzamide

5-methoxy-N-[4-(2-methylpropanoylamino)phenyl]-2-nitrobenzamide (PubChem CID 47847255) has the molecular formula C18H19N3O5 and a molecular weight of 357.37 g/mol. Its IUPAC name is 5-methoxy-N-[4-(2-methylpropanoylamino)phenyl]-2-nitrobenzamide.

Molecular Properties

Compound Name5-methoxy-N-[4-(2-methylpropanoylamino)phenyl]-2-nitrobenzamide
PubChem CID47847255
Molecular FormulaC18H19N3O5
Molecular Weight357.37 g/mol
Exact Mass357.13
IUPAC Name5-methoxy-N-[4-(2-methylpropanoylamino)phenyl]-2-nitrobenzamide
SMILESCOc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(NC(=O)C(C)C)cc2)c1
InChIInChI=1S/C18H19N3O5/c1-11(2)17(22)19-12-4-6-13(7-5-12)20-18(23)15-10-14(26-3)8-9-16(15)21(24)25/h4-11H,1-3H3,(H,19,22)(H,20,23)
InChIKeyXYTYHCXSYCWSIU-UHFFFAOYSA-N
XLogP3.45
TPSA110.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 53.45
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

5-methoxy-N-[4-[(5-methoxy-2-nitrobenzoyl)amino]phenyl]-2-nitrobenzamide
CID 131864696
N-(4-fluorophenyl)-5-methoxy-2-nitrobenzamide
CID 47844867
dimethyl 5-[(5-methoxy-2-nitrobenzoyl)amino]benzene-1,3-dicarboxylate
CID 47845357
5-ethoxy-4-methoxy-N-[4-(2-methylpropanoylamino)phenyl]-2-nitrobenzamide
CID 42122425
5-methoxy-2-nitro-N-[4-(prop-2-enylcarbamoyl)phenyl]benzamide
CID 47858544
5-methoxy-2-nitro-N-pyridin-3-ylbenzamide
CID 47401859
(2S)-2-[(5-methoxy-2-nitrobenzoyl)amino]propanoic acid
CID 119238250
5-methoxy-2-nitro-N-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)benzamide
CID 59848994
5-chloro-N-[4-[4-[(5-chloro-2-nitrobenzoyl)amino]phenoxy]phenyl]-2-nitrobenzamide
CID 4605334
2-hydroxy-5-methoxy-N-(4-nitrophenyl)benzamide
CID 10968180
N-(4-ethyl-3-nitrophenyl)-2,5-dimethoxybenzamide
CID 86925249
2-methyl-N-[4-(2-nitrophenoxy)phenyl]propanamide
CID 133348005

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N-[4-(2-methylpropanoylamino)phenyl]-2-nitrobenzamide?
The IUPAC name of 5-methoxy-N-[4-(2-methylpropanoylamino)phenyl]-2-nitrobenzamide (CID 47847255) is 5-methoxy-N-[4-(2-methylpropanoylamino)phenyl]-2-nitrobenzamide.
What is the SMILES notation for 5-methoxy-N-[4-(2-methylpropanoylamino)phenyl]-2-nitrobenzamide?
The canonical SMILES for 5-methoxy-N-[4-(2-methylpropanoylamino)phenyl]-2-nitrobenzamide is COc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(NC(=O)C(C)C)cc2)c1.
What is the InChIKey of 5-methoxy-N-[4-(2-methylpropanoylamino)phenyl]-2-nitrobenzamide?
The InChIKey is XYTYHCXSYCWSIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O5/c1-11(2)17(22)19-12-4-6-13(7-5-12)20-18(23)15-10-14(26-3)8-9-16(15)21(24)25/h4-11H,1-3H3,(H,19,22)(H,20,23).
What are the key properties of 5-methoxy-N-[4-(2-methylpropanoylamino)phenyl]-2-nitrobenzamide?
5-methoxy-N-[4-(2-methylpropanoylamino)phenyl]-2-nitrobenzamide has a molecular weight of 357.37 g/mol, XLogP of 3.45, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N-[4-(2-methylpropanoylamino)phenyl]-2-nitrobenzamide is sourced from PubChem (CID 47847255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).