4-bromo-N-methyl-N-(2-nitrophenyl)benzamide

C14H11BrN2O3 — CID 44537267

IUPAC4-bromo-N-methyl-N-(2-nitrophenyl)benzamide
SMILESCN(C(=O)c1ccc(Br)cc1)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C14H11BrN2O3/c1-16(12-4-2-3-5-13(12)17(19)20)14(18)10-6-8-11(15)9-7-10/h2-9H,1H3
InChIKeyBZZWYWYVSDNSCO-UHFFFAOYSA-N
MW335.16 g/mol
LogP3.63
Rot. Bonds3

About 4-bromo-N-methyl-N-(2-nitrophenyl)benzamide

4-bromo-N-methyl-N-(2-nitrophenyl)benzamide (PubChem CID 44537267) has the molecular formula C14H11BrN2O3 and a molecular weight of 335.16 g/mol. Its IUPAC name is 4-bromo-N-methyl-N-(2-nitrophenyl)benzamide.

Molecular Properties

Compound Name4-bromo-N-methyl-N-(2-nitrophenyl)benzamide
PubChem CID44537267
Molecular FormulaC14H11BrN2O3
Molecular Weight335.16 g/mol
Exact Mass334.00
IUPAC Name4-bromo-N-methyl-N-(2-nitrophenyl)benzamide
SMILESCN(C(=O)c1ccc(Br)cc1)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C14H11BrN2O3/c1-16(12-4-2-3-5-13(12)17(19)20)14(18)10-6-8-11(15)9-7-10/h2-9H,1H3
InChIKeyBZZWYWYVSDNSCO-UHFFFAOYSA-N
XLogP3.63
TPSA63.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.16
LogP ≤ 53.63
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-methyl-N-(2-nitrophenyl)benzamide?
The IUPAC name of 4-bromo-N-methyl-N-(2-nitrophenyl)benzamide (CID 44537267) is 4-bromo-N-methyl-N-(2-nitrophenyl)benzamide.
What is the SMILES notation for 4-bromo-N-methyl-N-(2-nitrophenyl)benzamide?
The canonical SMILES for 4-bromo-N-methyl-N-(2-nitrophenyl)benzamide is CN(C(=O)c1ccc(Br)cc1)c1ccccc1[N+](=O)[O-].
What is the InChIKey of 4-bromo-N-methyl-N-(2-nitrophenyl)benzamide?
The InChIKey is BZZWYWYVSDNSCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN2O3/c1-16(12-4-2-3-5-13(12)17(19)20)14(18)10-6-8-11(15)9-7-10/h2-9H,1H3.
What are the key properties of 4-bromo-N-methyl-N-(2-nitrophenyl)benzamide?
4-bromo-N-methyl-N-(2-nitrophenyl)benzamide has a molecular weight of 335.16 g/mol, XLogP of 3.63, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-methyl-N-(2-nitrophenyl)benzamide is sourced from PubChem (CID 44537267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).