N-(3-bromophenyl)-2-methyl-3-nitrobenzamide

C14H11BrN2O3 — CID 799056

IUPACN-(3-bromophenyl)-2-methyl-3-nitrobenzamide
SMILESCc1c(C(=O)Nc2cccc(Br)c2)cccc1[N+](=O)[O-]
InChIInChI=1S/C14H11BrN2O3/c1-9-12(6-3-7-13(9)17(19)20)14(18)16-11-5-2-4-10(15)8-11/h2-8H,1H3,(H,16,18)
InChIKeyYGZFJEKSLROESA-UHFFFAOYSA-N
MW335.16 g/mol
LogP3.92
Rot. Bonds3

About N-(3-bromophenyl)-2-methyl-3-nitrobenzamide

N-(3-bromophenyl)-2-methyl-3-nitrobenzamide (PubChem CID 799056) has the molecular formula C14H11BrN2O3 and a molecular weight of 335.16 g/mol. Its IUPAC name is N-(3-bromophenyl)-2-methyl-3-nitrobenzamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-2-methyl-3-nitrobenzamide
PubChem CID799056
Molecular FormulaC14H11BrN2O3
Molecular Weight335.16 g/mol
Exact Mass334.00
IUPAC NameN-(3-bromophenyl)-2-methyl-3-nitrobenzamide
SMILESCc1c(C(=O)Nc2cccc(Br)c2)cccc1[N+](=O)[O-]
InChIInChI=1S/C14H11BrN2O3/c1-9-12(6-3-7-13(9)17(19)20)14(18)16-11-5-2-4-10(15)8-11/h2-8H,1H3,(H,16,18)
InChIKeyYGZFJEKSLROESA-UHFFFAOYSA-N
XLogP3.92
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.16
LogP ≤ 53.92
H-Bond Donors ≤ 51
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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Related Compounds

2-methyl-N-[3-[(2-methyl-3-nitrobenzoyl)amino]phenyl]-3-nitrobenzamide
CID 3644824
N-(3-chlorophenyl)-2-methyl-3-nitrobenzamide
CID 803481
N-(3,4-dimethylphenyl)-2-methyl-3-nitrobenzamide
CID 5187625
N-(3-formylphenyl)-2-methyl-3-nitrobenzamide
CID 106912464
2-methyl-N-(4-methylphenyl)-3-nitrobenzamide
CID 779960
N-(4-bromo-2-chlorophenyl)-2-methyl-3-nitrobenzamide
CID 17311397
N-[4-bromo-3-(trifluoromethyl)phenyl]-2-methyl-3-nitrobenzamide
CID 26864154
N-(3-chloro-4-methylphenyl)-2-methyl-3-nitrobenzamide
CID 710986
N-(3-bromophenyl)-4-methyl-2-(methylamino)-5-nitrobenzamide
CID 156635606
3-bromo-N-(3-bromo-4-nitrophenyl)-2-methylbenzamide
CID 82865786
N-(6-bromo-3-pyridinyl)-2-methyl-3-nitrobenzamide
CID 103789431
N-hydroxy-2-methyl-3-nitrobenzamide
CID 24690706

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-2-methyl-3-nitrobenzamide?
The IUPAC name of N-(3-bromophenyl)-2-methyl-3-nitrobenzamide (CID 799056) is N-(3-bromophenyl)-2-methyl-3-nitrobenzamide.
What is the SMILES notation for N-(3-bromophenyl)-2-methyl-3-nitrobenzamide?
The canonical SMILES for N-(3-bromophenyl)-2-methyl-3-nitrobenzamide is Cc1c(C(=O)Nc2cccc(Br)c2)cccc1[N+](=O)[O-].
What is the InChIKey of N-(3-bromophenyl)-2-methyl-3-nitrobenzamide?
The InChIKey is YGZFJEKSLROESA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN2O3/c1-9-12(6-3-7-13(9)17(19)20)14(18)16-11-5-2-4-10(15)8-11/h2-8H,1H3,(H,16,18).
What are the key properties of N-(3-bromophenyl)-2-methyl-3-nitrobenzamide?
N-(3-bromophenyl)-2-methyl-3-nitrobenzamide has a molecular weight of 335.16 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-2-methyl-3-nitrobenzamide is sourced from PubChem (CID 799056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).