N-[2-bromo-6-(difluoromethoxy)-4-fluorophenyl]-2-fluoro-3-nitrobenzamide

C14H7BrF4N2O4 — CID 118203716

IUPACN-[2-bromo-6-(difluoromethoxy)-4-fluorophenyl]-2-fluoro-3-nitrobenzamide
SMILESO=C(Nc1c(Br)cc(F)cc1OC(F)F)c1cccc([N+](=O)[O-])c1F
InChIInChI=1S/C14H7BrF4N2O4/c15-8-4-6(16)5-10(25-14(18)19)12(8)20-13(22)7-2-1-3-9(11(7)17)21(23)24/h1-5,14H,(H,20,22)
InChIKeyKVYSXPQXEQCUOR-UHFFFAOYSA-N
MW423.12 g/mol
LogP4.49
Rot. Bonds5

About N-[2-bromo-6-(difluoromethoxy)-4-fluorophenyl]-2-fluoro-3-nitrobenzamide

N-[2-bromo-6-(difluoromethoxy)-4-fluorophenyl]-2-fluoro-3-nitrobenzamide (PubChem CID 118203716) has the molecular formula C14H7BrF4N2O4 and a molecular weight of 423.12 g/mol. Its IUPAC name is N-[2-bromo-6-(difluoromethoxy)-4-fluorophenyl]-2-fluoro-3-nitrobenzamide.

Molecular Properties

Compound NameN-[2-bromo-6-(difluoromethoxy)-4-fluorophenyl]-2-fluoro-3-nitrobenzamide
PubChem CID118203716
Molecular FormulaC14H7BrF4N2O4
Molecular Weight423.12 g/mol
Exact Mass421.95
IUPAC NameN-[2-bromo-6-(difluoromethoxy)-4-fluorophenyl]-2-fluoro-3-nitrobenzamide
SMILESO=C(Nc1c(Br)cc(F)cc1OC(F)F)c1cccc([N+](=O)[O-])c1F
InChIInChI=1S/C14H7BrF4N2O4/c15-8-4-6(16)5-10(25-14(18)19)12(8)20-13(22)7-2-1-3-9(11(7)17)21(23)24/h1-5,14H,(H,20,22)
InChIKeyKVYSXPQXEQCUOR-UHFFFAOYSA-N
XLogP4.49
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.12
LogP ≤ 54.49
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

N-[2-bromo-6-(difluoromethoxy)-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]-2-fluoro-3-[(4-fluorobenzoyl)-methylamino]benzamide
CID 155095632
2-[3-[[2-bromo-6-(difluoromethoxy)-4-(2-fluoropropan-2-yl)phenyl]carbamoyl]-2-fluoroanilino]acetic acid
CID 175592379
2-chloro-N-[2,6-dibromo-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]-3-nitrobenzamide
CID 87289162
3-bromo-2-fluoro-N-(5-fluoro-2-nitrophenyl)benzamide
CID 107952917
3-bromo-N-(2-bromo-6-chloro-4-fluorophenyl)-2-fluorobenzamide
CID 107470673
3-bromo-N-(4-bromo-3-nitrophenyl)-2-fluorobenzamide
CID 106547604
2-bromo-4-fluoro-N-(2-methyl-3-nitrophenyl)benzamide
CID 18197993
1,2-dibromo-4-(difluoromethoxy)-5-nitrobenzene
CID 118802196
3-bromo-2-fluoro-N-(2-methyl-3-nitrophenyl)benzamide
CID 106544040
N-(3-bromophenyl)-2,5-difluoro-3-nitrobenzamide
CID 107121691
3-bromo-N-(4-bromo-2-nitrophenyl)-2-fluorobenzamide
CID 107952009
2-bromo-5-fluoro-N-(2-nitrophenyl)benzamide
CID 60667245

Frequently Asked Questions

What is the IUPAC name of N-[2-bromo-6-(difluoromethoxy)-4-fluorophenyl]-2-fluoro-3-nitrobenzamide?
The IUPAC name of N-[2-bromo-6-(difluoromethoxy)-4-fluorophenyl]-2-fluoro-3-nitrobenzamide (CID 118203716) is N-[2-bromo-6-(difluoromethoxy)-4-fluorophenyl]-2-fluoro-3-nitrobenzamide.
What is the SMILES notation for N-[2-bromo-6-(difluoromethoxy)-4-fluorophenyl]-2-fluoro-3-nitrobenzamide?
The canonical SMILES for N-[2-bromo-6-(difluoromethoxy)-4-fluorophenyl]-2-fluoro-3-nitrobenzamide is O=C(Nc1c(Br)cc(F)cc1OC(F)F)c1cccc([N+](=O)[O-])c1F.
What is the InChIKey of N-[2-bromo-6-(difluoromethoxy)-4-fluorophenyl]-2-fluoro-3-nitrobenzamide?
The InChIKey is KVYSXPQXEQCUOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7BrF4N2O4/c15-8-4-6(16)5-10(25-14(18)19)12(8)20-13(22)7-2-1-3-9(11(7)17)21(23)24/h1-5,14H,(H,20,22).
What are the key properties of N-[2-bromo-6-(difluoromethoxy)-4-fluorophenyl]-2-fluoro-3-nitrobenzamide?
N-[2-bromo-6-(difluoromethoxy)-4-fluorophenyl]-2-fluoro-3-nitrobenzamide has a molecular weight of 423.12 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-bromo-6-(difluoromethoxy)-4-fluorophenyl]-2-fluoro-3-nitrobenzamide is sourced from PubChem (CID 118203716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).