2-bromo-6-fluoro-N-(3-methyl-4-nitrophenyl)benzamide

C14H10BrFN2O3 — CID 115920885

IUPAC2-bromo-6-fluoro-N-(3-methyl-4-nitrophenyl)benzamide
SMILESCc1cc(NC(=O)c2c(F)cccc2Br)ccc1[N+](=O)[O-]
InChIInChI=1S/C14H10BrFN2O3/c1-8-7-9(5-6-12(8)18(20)21)17-14(19)13-10(15)3-2-4-11(13)16/h2-7H,1H3,(H,17,19)
InChIKeyUWIFZIFDUSPXNF-UHFFFAOYSA-N
MW353.15 g/mol
LogP4.06
Rot. Bonds3

About 2-bromo-6-fluoro-N-(3-methyl-4-nitrophenyl)benzamide

2-bromo-6-fluoro-N-(3-methyl-4-nitrophenyl)benzamide (PubChem CID 115920885) has the molecular formula C14H10BrFN2O3 and a molecular weight of 353.15 g/mol. Its IUPAC name is 2-bromo-6-fluoro-N-(3-methyl-4-nitrophenyl)benzamide.

Molecular Properties

Compound Name2-bromo-6-fluoro-N-(3-methyl-4-nitrophenyl)benzamide
PubChem CID115920885
Molecular FormulaC14H10BrFN2O3
Molecular Weight353.15 g/mol
Exact Mass351.99
IUPAC Name2-bromo-6-fluoro-N-(3-methyl-4-nitrophenyl)benzamide
SMILESCc1cc(NC(=O)c2c(F)cccc2Br)ccc1[N+](=O)[O-]
InChIInChI=1S/C14H10BrFN2O3/c1-8-7-9(5-6-12(8)18(20)21)17-14(19)13-10(15)3-2-4-11(13)16/h2-7H,1H3,(H,17,19)
InChIKeyUWIFZIFDUSPXNF-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

2,3-difluoro-N-(3-methyl-4-nitrophenyl)benzamide
CID 62660947
2-fluoro-6-hydroxy-N-(4-methyl-3-nitrophenyl)benzamide
CID 104916506
N-(4-bromo-3-methylphenyl)-2,6-difluorobenzamide
CID 2526988
2-fluoro-5-methyl-N-(3-methyl-4-nitrophenyl)benzamide
CID 62512688
4-amino-2-fluoro-N-(3-methyl-4-nitrophenyl)benzamide
CID 107794431
N-(3-amino-4-bromophenyl)-2-bromo-6-fluorobenzamide
CID 114558425
2,4-dibromo-N-(3-methyl-4-nitrophenyl)benzamide
CID 103932023
2-[(3-methyl-4-nitrophenyl)carbamoyl]-6-nitrobenzoic acid
CID 4609006
2-bromo-N-(3,4-dichlorophenyl)-6-fluorobenzamide
CID 115678055
N-(3,4-dimethylphenyl)-3-fluoro-4-nitrobenzamide
CID 62682340
N-(3,4-difluorophenyl)-3-methyl-4-nitrobenzamide
CID 786997
3-bromo-N-(3-bromo-4-nitrophenyl)-2-methylbenzamide
CID 82865786

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-fluoro-N-(3-methyl-4-nitrophenyl)benzamide?
The IUPAC name of 2-bromo-6-fluoro-N-(3-methyl-4-nitrophenyl)benzamide (CID 115920885) is 2-bromo-6-fluoro-N-(3-methyl-4-nitrophenyl)benzamide.
What is the SMILES notation for 2-bromo-6-fluoro-N-(3-methyl-4-nitrophenyl)benzamide?
The canonical SMILES for 2-bromo-6-fluoro-N-(3-methyl-4-nitrophenyl)benzamide is Cc1cc(NC(=O)c2c(F)cccc2Br)ccc1[N+](=O)[O-].
What is the InChIKey of 2-bromo-6-fluoro-N-(3-methyl-4-nitrophenyl)benzamide?
The InChIKey is UWIFZIFDUSPXNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrFN2O3/c1-8-7-9(5-6-12(8)18(20)21)17-14(19)13-10(15)3-2-4-11(13)16/h2-7H,1H3,(H,17,19).
What are the key properties of 2-bromo-6-fluoro-N-(3-methyl-4-nitrophenyl)benzamide?
2-bromo-6-fluoro-N-(3-methyl-4-nitrophenyl)benzamide 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 2-bromo-6-fluoro-N-(3-methyl-4-nitrophenyl)benzamide is sourced from PubChem (CID 115920885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).