5-chloro-2-methoxy-N-(2-methyl-3-nitrophenyl)benzamide

C15H13ClN2O4 — CID 885071

IUPAC5-chloro-2-methoxy-N-(2-methyl-3-nitrophenyl)benzamide
SMILESCC1=C(C=CC=C1[N+](=O)[O-])NC(=O)C2=C(C=CC(=C2)Cl)OC
InChIInChI=1S/C15H13ClN2O4/c1-9-12(4-3-5-13(9)18(20)21)17-15(19)11-8-10(16)6-7-14(11)22-2/h3-8H,1-2H3,(H,17,19)
InChIKeyQJGVETOTGDWCDM-UHFFFAOYSA-N
MW320.73 g/mol
LogP3.50
Rot. Bonds3

About 5-chloro-2-methoxy-N-(2-methyl-3-nitrophenyl)benzamide

5-chloro-2-methoxy-N-(2-methyl-3-nitrophenyl)benzamide (PubChem CID 885071) has the molecular formula C15H13ClN2O4 and a molecular weight of 320.73 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N-(2-methyl-3-nitrophenyl)benzamide.

Molecular Properties

Compound Name5-chloro-2-methoxy-N-(2-methyl-3-nitrophenyl)benzamide
PubChem CID885071
Molecular FormulaC15H13ClN2O4
Molecular Weight320.73 g/mol
Exact Mass320.06
IUPAC Name5-chloro-2-methoxy-N-(2-methyl-3-nitrophenyl)benzamide
SMILESCC1=C(C=CC=C1[N+](=O)[O-])NC(=O)C2=C(C=CC(=C2)Cl)OC
InChIInChI=1S/C15H13ClN2O4/c1-9-12(4-3-5-13(9)18(20)21)17-15(19)11-8-10(16)6-7-14(11)22-2/h3-8H,1-2H3,(H,17,19)
InChIKeyQJGVETOTGDWCDM-UHFFFAOYSA-N
XLogP3.50
TPSA84.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity415

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.73
LogP ≤ 53.50
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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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-N-(2-methyl-3-nitrophenyl)benzamide?
The IUPAC name of 5-chloro-2-methoxy-N-(2-methyl-3-nitrophenyl)benzamide (CID 885071) is 5-chloro-2-methoxy-N-(2-methyl-3-nitrophenyl)benzamide.
What is the SMILES notation for 5-chloro-2-methoxy-N-(2-methyl-3-nitrophenyl)benzamide?
The canonical SMILES for 5-chloro-2-methoxy-N-(2-methyl-3-nitrophenyl)benzamide is CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)C2=C(C=CC(=C2)Cl)OC.
What is the InChIKey of 5-chloro-2-methoxy-N-(2-methyl-3-nitrophenyl)benzamide?
The InChIKey is QJGVETOTGDWCDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O4/c1-9-12(4-3-5-13(9)18(20)21)17-15(19)11-8-10(16)6-7-14(11)22-2/h3-8H,1-2H3,(H,17,19).
What are the key properties of 5-chloro-2-methoxy-N-(2-methyl-3-nitrophenyl)benzamide?
5-chloro-2-methoxy-N-(2-methyl-3-nitrophenyl)benzamide has a molecular weight of 320.73 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-N-(2-methyl-3-nitrophenyl)benzamide is sourced from PubChem (CID 885071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).