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

C16H15N3O5 — CID 9158588

IUPAC2-methoxy-N-[4-(methylcarbamoyl)phenyl]-5-nitrobenzamide
SMILESCNC(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2OC)cc1
InChIInChI=1S/C16H15N3O5/c1-17-15(20)10-3-5-11(6-4-10)18-16(21)13-9-12(19(22)23)7-8-14(13)24-2/h3-9H,1-2H3,(H,17,20)(H,18,21)
InChIKeyXCMYFXDYEHMYEP-UHFFFAOYSA-N
MW329.31 g/mol
LogP2.22
Rot. Bonds5

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

2-methoxy-N-[4-(methylcarbamoyl)phenyl]-5-nitrobenzamide (PubChem CID 9158588) has the molecular formula C16H15N3O5 and a molecular weight of 329.31 g/mol. Its IUPAC name is 2-methoxy-N-[4-(methylcarbamoyl)phenyl]-5-nitrobenzamide.

Molecular Properties

Compound Name2-methoxy-N-[4-(methylcarbamoyl)phenyl]-5-nitrobenzamide
PubChem CID9158588
Molecular FormulaC16H15N3O5
Molecular Weight329.31 g/mol
Exact Mass329.10
IUPAC Name2-methoxy-N-[4-(methylcarbamoyl)phenyl]-5-nitrobenzamide
SMILESCNC(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2OC)cc1
InChIInChI=1S/C16H15N3O5/c1-17-15(20)10-3-5-11(6-4-10)18-16(21)13-9-12(19(22)23)7-8-14(13)24-2/h3-9H,1-2H3,(H,17,20)(H,18,21)
InChIKeyXCMYFXDYEHMYEP-UHFFFAOYSA-N
XLogP2.22
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 ≤ 52.22
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-(4-chlorophenyl)-2-methoxy-5-nitrobenzamide
CID 9043665
N-[4-(diethylamino)phenyl]-2-methoxy-5-nitrobenzamide
CID 46410238
2,4,5-trimethoxy-N-[4-(methylcarbamoyl)phenyl]benzamide
CID 4793592
N-(4-fluoro-3-nitrophenyl)-2-methoxy-5-nitrobenzamide
CID 60606316
N-[4-(diethylsulfamoyl)phenyl]-2-methoxy-5-nitrobenzamide
CID 9203751
N-[4-(methylcarbamoyl)phenyl]-3,5-dinitrobenzamide
CID 26906332
2-chloro-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-5-nitrobenzamide
CID 26252770
N-(4-methoxyphenyl)-5-nitro-2-propan-2-yloxybenzamide
CID 139678187
5-nitro-N-(4-nitrophenyl)-2-propan-2-yloxybenzamide
CID 139678197
N-(3,4-dipropoxyphenyl)-2-methoxy-5-nitrobenzamide
CID 9376413
2-ethoxy-N-(4-methoxyphenyl)-5-nitrobenzamide
CID 141452154
N-(3-hydroxy-4-methoxyphenyl)-4-nitrobenzamide
CID 7478754

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[4-(methylcarbamoyl)phenyl]-5-nitrobenzamide?
The IUPAC name of 2-methoxy-N-[4-(methylcarbamoyl)phenyl]-5-nitrobenzamide (CID 9158588) is 2-methoxy-N-[4-(methylcarbamoyl)phenyl]-5-nitrobenzamide.
What is the SMILES notation for 2-methoxy-N-[4-(methylcarbamoyl)phenyl]-5-nitrobenzamide?
The canonical SMILES for 2-methoxy-N-[4-(methylcarbamoyl)phenyl]-5-nitrobenzamide is CNC(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2OC)cc1.
What is the InChIKey of 2-methoxy-N-[4-(methylcarbamoyl)phenyl]-5-nitrobenzamide?
The InChIKey is XCMYFXDYEHMYEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O5/c1-17-15(20)10-3-5-11(6-4-10)18-16(21)13-9-12(19(22)23)7-8-14(13)24-2/h3-9H,1-2H3,(H,17,20)(H,18,21).
What are the key properties of 2-methoxy-N-[4-(methylcarbamoyl)phenyl]-5-nitrobenzamide?
2-methoxy-N-[4-(methylcarbamoyl)phenyl]-5-nitrobenzamide has a molecular weight of 329.31 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[4-(methylcarbamoyl)phenyl]-5-nitrobenzamide is sourced from PubChem (CID 9158588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).