N-[4-bromo-3-(trifluoromethyl)phenyl]-4-nitrobenzamide

C14H8BrF3N2O3 — CID 1309008

IUPACN-[4-bromo-3-(trifluoromethyl)phenyl]-4-nitrobenzamide
SMILESO=C(Nc1ccc(Br)c(C(F)(F)F)c1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H8BrF3N2O3/c15-12-6-3-9(7-11(12)14(16,17)18)19-13(21)8-1-4-10(5-2-8)20(22)23/h1-7H,(H,19,21)
InChIKeyBSZMYWCAYLDCFM-UHFFFAOYSA-N
MW389.13 g/mol
LogP4.63
Rot. Bonds3

About N-[4-bromo-3-(trifluoromethyl)phenyl]-4-nitrobenzamide

N-[4-bromo-3-(trifluoromethyl)phenyl]-4-nitrobenzamide (PubChem CID 1309008) has the molecular formula C14H8BrF3N2O3 and a molecular weight of 389.13 g/mol. Its IUPAC name is N-[4-bromo-3-(trifluoromethyl)phenyl]-4-nitrobenzamide.

Molecular Properties

Compound NameN-[4-bromo-3-(trifluoromethyl)phenyl]-4-nitrobenzamide
PubChem CID1309008
Molecular FormulaC14H8BrF3N2O3
Molecular Weight389.13 g/mol
Exact Mass387.97
IUPAC NameN-[4-bromo-3-(trifluoromethyl)phenyl]-4-nitrobenzamide
SMILESO=C(Nc1ccc(Br)c(C(F)(F)F)c1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H8BrF3N2O3/c15-12-6-3-9(7-11(12)14(16,17)18)19-13(21)8-1-4-10(5-2-8)20(22)23/h1-7H,(H,19,21)
InChIKeyBSZMYWCAYLDCFM-UHFFFAOYSA-N
XLogP4.63
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.13
LogP ≤ 54.63
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

N-[4-bromo-3-(trifluoromethyl)phenyl]-4-fluorobenzamide
CID 1095073
4-acetamido-N-[4-bromo-3-(trifluoromethyl)phenyl]benzamide
CID 2579701
4-[(4-nitrobenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 1118911
4-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]benzamide
CID 3834916
N-(4-amino-3-methylphenyl)-4-nitrobenzamide
CID 147874410
4-bromo-N-pyridin-4-yl-3-(trifluoromethyl)benzamide
CID 81449888
N-[4-bromo-3-(trifluoromethyl)phenyl]-2-methyl-3-nitrobenzamide
CID 26864154
N-(3,4-dinitrophenyl)-4-nitrobenzamide
CID 5185042
N-[4-amino-3-(trifluoromethyl)phenyl]-4-bromobenzamide
CID 16771044
5-bromo-N-[4-bromo-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 26197896
N-[4-bromo-3-(trifluoromethyl)phenyl]-3-chlorobenzamide
CID 7920374
3,5-dinitro-N-[4-(trifluoromethyl)phenyl]benzamide
CID 9097997

Frequently Asked Questions

What is the IUPAC name of N-[4-bromo-3-(trifluoromethyl)phenyl]-4-nitrobenzamide?
The IUPAC name of N-[4-bromo-3-(trifluoromethyl)phenyl]-4-nitrobenzamide (CID 1309008) is N-[4-bromo-3-(trifluoromethyl)phenyl]-4-nitrobenzamide.
What is the SMILES notation for N-[4-bromo-3-(trifluoromethyl)phenyl]-4-nitrobenzamide?
The canonical SMILES for N-[4-bromo-3-(trifluoromethyl)phenyl]-4-nitrobenzamide is O=C(Nc1ccc(Br)c(C(F)(F)F)c1)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-[4-bromo-3-(trifluoromethyl)phenyl]-4-nitrobenzamide?
The InChIKey is BSZMYWCAYLDCFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrF3N2O3/c15-12-6-3-9(7-11(12)14(16,17)18)19-13(21)8-1-4-10(5-2-8)20(22)23/h1-7H,(H,19,21).
What are the key properties of N-[4-bromo-3-(trifluoromethyl)phenyl]-4-nitrobenzamide?
N-[4-bromo-3-(trifluoromethyl)phenyl]-4-nitrobenzamide has a molecular weight of 389.13 g/mol, XLogP of 4.63, 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-(trifluoromethyl)phenyl]-4-nitrobenzamide is sourced from PubChem (CID 1309008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).