2-bromo-N-(2-methoxyphenyl)-5-nitrobenzamide

C14H11BrN2O4 — CID 1371919

IUPAC2-bromo-N-(2-methoxyphenyl)-5-nitrobenzamide
SMILESCOc1ccccc1NC(=O)c1cc([N+](=O)[O-])ccc1Br
InChIInChI=1S/C14H11BrN2O4/c1-21-13-5-3-2-4-12(13)16-14(18)10-8-9(17(19)20)6-7-11(10)15/h2-8H,1H3,(H,16,18)
InChIKeyBDWZQCXHNWOFTN-UHFFFAOYSA-N
MW351.16 g/mol
LogP3.62
Rot. Bonds4

About 2-bromo-N-(2-methoxyphenyl)-5-nitrobenzamide

2-bromo-N-(2-methoxyphenyl)-5-nitrobenzamide (PubChem CID 1371919) has the molecular formula C14H11BrN2O4 and a molecular weight of 351.16 g/mol. Its IUPAC name is 2-bromo-N-(2-methoxyphenyl)-5-nitrobenzamide.

Molecular Properties

Compound Name2-bromo-N-(2-methoxyphenyl)-5-nitrobenzamide
PubChem CID1371919
Molecular FormulaC14H11BrN2O4
Molecular Weight351.16 g/mol
Exact Mass349.99
IUPAC Name2-bromo-N-(2-methoxyphenyl)-5-nitrobenzamide
SMILESCOc1ccccc1NC(=O)c1cc([N+](=O)[O-])ccc1Br
InChIInChI=1S/C14H11BrN2O4/c1-21-13-5-3-2-4-12(13)16-14(18)10-8-9(17(19)20)6-7-11(10)15/h2-8H,1H3,(H,16,18)
InChIKeyBDWZQCXHNWOFTN-UHFFFAOYSA-N
XLogP3.62
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.16
LogP ≤ 53.62
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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Related Compounds

2-bromo-N-(2-methoxyphenyl)benzamide
CID 676344
2-[(2-methoxyphenyl)carbamoylamino]-5-nitrobenzoic acid
CID 16776347
2-bromo-4-fluoro-N-(2-methoxy-5-nitrophenyl)benzamide
CID 16797089
2-bromo-N-[(2-methoxy-4-nitrophenyl)carbamothioyl]benzamide
CID 2897203
2-fluoro-N-(2-methoxy-4-nitrophenyl)benzamide
CID 2885825
2,6-dimethoxy-N-(2-methoxy-4-nitrophenyl)benzamide
CID 4285710
N-(2-methoxyphenyl)-2-(4-nitrophenyl)sulfanylbenzamide
CID 1317590
5-(2-methoxy-4-nitrophenyl)-N-(2-methoxyphenyl)furan-2-carboxamide
CID 2273249
2-bromo-N-(2-bromo-4-chlorophenyl)-5-nitrobenzamide
CID 81027167
2-bromo-N-(2-bromo-4-nitrophenyl)-5-methylbenzamide
CID 81109764
4-chloro-N-(2-methoxyphenyl)-2-nitrobenzamide
CID 789181
2-bromo-N-(6-bromo-2-methyl-3-pyridinyl)-5-nitrobenzamide
CID 103910150

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-methoxyphenyl)-5-nitrobenzamide?
The IUPAC name of 2-bromo-N-(2-methoxyphenyl)-5-nitrobenzamide (CID 1371919) is 2-bromo-N-(2-methoxyphenyl)-5-nitrobenzamide.
What is the SMILES notation for 2-bromo-N-(2-methoxyphenyl)-5-nitrobenzamide?
The canonical SMILES for 2-bromo-N-(2-methoxyphenyl)-5-nitrobenzamide is COc1ccccc1NC(=O)c1cc([N+](=O)[O-])ccc1Br.
What is the InChIKey of 2-bromo-N-(2-methoxyphenyl)-5-nitrobenzamide?
The InChIKey is BDWZQCXHNWOFTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN2O4/c1-21-13-5-3-2-4-12(13)16-14(18)10-8-9(17(19)20)6-7-11(10)15/h2-8H,1H3,(H,16,18).
What are the key properties of 2-bromo-N-(2-methoxyphenyl)-5-nitrobenzamide?
2-bromo-N-(2-methoxyphenyl)-5-nitrobenzamide has a molecular weight of 351.16 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2-methoxyphenyl)-5-nitrobenzamide is sourced from PubChem (CID 1371919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).