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

C17H17BrN2O5 — CID 17357205

IUPAC5-bromo-2-(2-methoxyethoxy)-N-(2-methyl-4-nitrophenyl)benzamide
SMILESCOCCOc1ccc(Br)cc1C(=O)Nc1ccc([N+](=O)[O-])cc1C
InChIInChI=1S/C17H17BrN2O5/c1-11-9-13(20(22)23)4-5-15(11)19-17(21)14-10-12(18)3-6-16(14)25-8-7-24-2/h3-6,9-10H,7-8H2,1-2H3,(H,19,21)
InChIKeyNJWSHZNWLSGRIZ-UHFFFAOYSA-N
MW409.24 g/mol
LogP3.94
Rot. Bonds7

About 5-bromo-2-(2-methoxyethoxy)-N-(2-methyl-4-nitrophenyl)benzamide

5-bromo-2-(2-methoxyethoxy)-N-(2-methyl-4-nitrophenyl)benzamide (PubChem CID 17357205) has the molecular formula C17H17BrN2O5 and a molecular weight of 409.24 g/mol. Its IUPAC name is 5-bromo-2-(2-methoxyethoxy)-N-(2-methyl-4-nitrophenyl)benzamide.

Molecular Properties

Compound Name5-bromo-2-(2-methoxyethoxy)-N-(2-methyl-4-nitrophenyl)benzamide
PubChem CID17357205
Molecular FormulaC17H17BrN2O5
Molecular Weight409.24 g/mol
Exact Mass408.03
IUPAC Name5-bromo-2-(2-methoxyethoxy)-N-(2-methyl-4-nitrophenyl)benzamide
SMILESCOCCOc1ccc(Br)cc1C(=O)Nc1ccc([N+](=O)[O-])cc1C
InChIInChI=1S/C17H17BrN2O5/c1-11-9-13(20(22)23)4-5-15(11)19-17(21)14-10-12(18)3-6-16(14)25-8-7-24-2/h3-6,9-10H,7-8H2,1-2H3,(H,19,21)
InChIKeyNJWSHZNWLSGRIZ-UHFFFAOYSA-N
XLogP3.94
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.24
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-bromo-2-(3-methylbutoxy)-N-[(2-methyl-4-nitrophenyl)carbamothioyl]benzamide
CID 17350992
N-(4-bromo-2-methylphenyl)-5-methoxy-4-(2-methoxyethoxy)-2-nitrobenzamide
CID 55466348
5-bromo-N-(2-hydroxy-4-nitrophenyl)-2-methoxybenzamide
CID 4982416
5-bromo-N-[(2-methyl-5-nitrophenyl)carbamothioyl]-2-propoxybenzamide
CID 17351983
5-bromo-2-(3-methylbutoxy)-N-[(2-methyl-5-nitrophenyl)carbamothioyl]benzamide
CID 17350986
2-(2-methoxyethoxy)-5-nitrobenzoic acid
CID 2725637
5-bromo-2-hexoxy-N-(4-nitrophenyl)benzamide
CID 17343379
5-bromo-N-[(2-hydroxy-4-nitrophenyl)carbamothioyl]-2-(3-methylbutoxy)benzamide
CID 17350998
2-[[5-bromo-2-(2-methoxyethoxy)benzoyl]amino]benzoic acid
CID 54855912
1-[2-(2-methoxyethoxy)-5-nitrophenyl]ethanone
CID 62872855
2-bromo-5-methyl-N-(2-methyl-4-nitrophenyl)benzamide
CID 81110110
5-bromo-2-(2-methoxyethoxy)-N-naphthalen-1-ylbenzamide
CID 17357158

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(2-methoxyethoxy)-N-(2-methyl-4-nitrophenyl)benzamide?
The IUPAC name of 5-bromo-2-(2-methoxyethoxy)-N-(2-methyl-4-nitrophenyl)benzamide (CID 17357205) is 5-bromo-2-(2-methoxyethoxy)-N-(2-methyl-4-nitrophenyl)benzamide.
What is the SMILES notation for 5-bromo-2-(2-methoxyethoxy)-N-(2-methyl-4-nitrophenyl)benzamide?
The canonical SMILES for 5-bromo-2-(2-methoxyethoxy)-N-(2-methyl-4-nitrophenyl)benzamide is COCCOc1ccc(Br)cc1C(=O)Nc1ccc([N+](=O)[O-])cc1C.
What is the InChIKey of 5-bromo-2-(2-methoxyethoxy)-N-(2-methyl-4-nitrophenyl)benzamide?
The InChIKey is NJWSHZNWLSGRIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN2O5/c1-11-9-13(20(22)23)4-5-15(11)19-17(21)14-10-12(18)3-6-16(14)25-8-7-24-2/h3-6,9-10H,7-8H2,1-2H3,(H,19,21).
What are the key properties of 5-bromo-2-(2-methoxyethoxy)-N-(2-methyl-4-nitrophenyl)benzamide?
5-bromo-2-(2-methoxyethoxy)-N-(2-methyl-4-nitrophenyl)benzamide has a molecular weight of 409.24 g/mol, XLogP of 3.94, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(2-methoxyethoxy)-N-(2-methyl-4-nitrophenyl)benzamide is sourced from PubChem (CID 17357205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).