N-(4-bromo-3-fluorophenyl)-2-methyl-5-nitrobenzamide

C14H10BrFN2O3 — CID 65429191

IUPACN-(4-bromo-3-fluorophenyl)-2-methyl-5-nitrobenzamide
SMILESCc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(Br)c(F)c1
InChIInChI=1S/C14H10BrFN2O3/c1-8-2-4-10(18(20)21)7-11(8)14(19)17-9-3-5-12(15)13(16)6-9/h2-7H,1H3,(H,17,19)
InChIKeyLNJQJRJEXKYGOJ-UHFFFAOYSA-N
MW353.15 g/mol
LogP4.06
Rot. Bonds3

About N-(4-bromo-3-fluorophenyl)-2-methyl-5-nitrobenzamide

N-(4-bromo-3-fluorophenyl)-2-methyl-5-nitrobenzamide (PubChem CID 65429191) has the molecular formula C14H10BrFN2O3 and a molecular weight of 353.15 g/mol. Its IUPAC name is N-(4-bromo-3-fluorophenyl)-2-methyl-5-nitrobenzamide.

Molecular Properties

Compound NameN-(4-bromo-3-fluorophenyl)-2-methyl-5-nitrobenzamide
PubChem CID65429191
Molecular FormulaC14H10BrFN2O3
Molecular Weight353.15 g/mol
Exact Mass351.99
IUPAC NameN-(4-bromo-3-fluorophenyl)-2-methyl-5-nitrobenzamide
SMILESCc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(Br)c(F)c1
InChIInChI=1S/C14H10BrFN2O3/c1-8-2-4-10(18(20)21)7-11(8)14(19)17-9-3-5-12(15)13(16)6-9/h2-7H,1H3,(H,17,19)
InChIKeyLNJQJRJEXKYGOJ-UHFFFAOYSA-N
XLogP4.06
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.15
LogP ≤ 54.06
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-bromo-N-(4-fluoro-3-methylphenyl)-5-nitrobenzamide
CID 62812667
N-(4-bromo-3-methylphenyl)-2-fluoro-4-nitrobenzamide
CID 61038158
N-(4-bromo-3-fluorophenyl)-3-methyl-2-nitrobenzamide
CID 65430673
N-(4-aminophenyl)-2-methyl-5-nitrobenzamide
CID 63214788
N-(4-bromo-3-chlorophenyl)-2-fluoro-5-nitrobenzamide
CID 103824688
N-(3-chloro-4-hydroxyphenyl)-2-methyl-5-nitrobenzamide
CID 63936506
2-(difluoromethoxy)-N-(3-fluoro-4-methylphenyl)-5-nitrobenzamide
CID 112806014
N-(5-bromo-4-methyl-2-pyridinyl)-2-methyl-5-nitrobenzamide
CID 79736442
2-fluoro-N-(4-methylphenyl)-5-nitrobenzamide
CID 43377467
2-methyl-5-nitro-N-(2,3,4-trifluorophenyl)benzamide
CID 60594295
2-bromo-N-(2-methyl-4-pyridinyl)-5-nitrobenzamide
CID 79240934
N-(3-amino-4-fluorophenyl)-2-methyl-4-nitrobenzamide
CID 63257262

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-fluorophenyl)-2-methyl-5-nitrobenzamide?
The IUPAC name of N-(4-bromo-3-fluorophenyl)-2-methyl-5-nitrobenzamide (CID 65429191) is N-(4-bromo-3-fluorophenyl)-2-methyl-5-nitrobenzamide.
What is the SMILES notation for N-(4-bromo-3-fluorophenyl)-2-methyl-5-nitrobenzamide?
The canonical SMILES for N-(4-bromo-3-fluorophenyl)-2-methyl-5-nitrobenzamide is Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(Br)c(F)c1.
What is the InChIKey of N-(4-bromo-3-fluorophenyl)-2-methyl-5-nitrobenzamide?
The InChIKey is LNJQJRJEXKYGOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrFN2O3/c1-8-2-4-10(18(20)21)7-11(8)14(19)17-9-3-5-12(15)13(16)6-9/h2-7H,1H3,(H,17,19).
What are the key properties of N-(4-bromo-3-fluorophenyl)-2-methyl-5-nitrobenzamide?
N-(4-bromo-3-fluorophenyl)-2-methyl-5-nitrobenzamide has a molecular weight of 353.15 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-fluorophenyl)-2-methyl-5-nitrobenzamide is sourced from PubChem (CID 65429191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).