N-(4-bromophenyl)-2,4,6-trifluorobenzamide

C13H7BrF3NO — CID 65098972

IUPACN-(4-bromophenyl)-2,4,6-trifluorobenzamide
SMILESO=C(Nc1ccc(Br)cc1)c1c(F)cc(F)cc1F
InChIInChI=1S/C13H7BrF3NO/c14-7-1-3-9(4-2-7)18-13(19)12-10(16)5-8(15)6-11(12)17/h1-6H,(H,18,19)
InChIKeyAIPSEVGCWGWTJG-UHFFFAOYSA-N
MW330.10 g/mol
LogP4.12
Rot. Bonds2

About N-(4-bromophenyl)-2,4,6-trifluorobenzamide

N-(4-bromophenyl)-2,4,6-trifluorobenzamide (PubChem CID 65098972) has the molecular formula C13H7BrF3NO and a molecular weight of 330.10 g/mol. Its IUPAC name is N-(4-bromophenyl)-2,4,6-trifluorobenzamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2,4,6-trifluorobenzamide
PubChem CID65098972
Molecular FormulaC13H7BrF3NO
Molecular Weight330.10 g/mol
Exact Mass328.97
IUPAC NameN-(4-bromophenyl)-2,4,6-trifluorobenzamide
SMILESO=C(Nc1ccc(Br)cc1)c1c(F)cc(F)cc1F
InChIInChI=1S/C13H7BrF3NO/c14-7-1-3-9(4-2-7)18-13(19)12-10(16)5-8(15)6-11(12)17/h1-6H,(H,18,19)
InChIKeyAIPSEVGCWGWTJG-UHFFFAOYSA-N
XLogP4.12
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.10
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(3-amino-4-bromophenyl)-2,4,6-trifluorobenzamide
CID 79767572
2,4,6-trifluoro-N-[4-(1-hydroxyethyl)phenyl]benzamide
CID 65100671
N-[(4-bromophenyl)methyl]-2,4,6-trifluorobenzamide
CID 65099122
5-bromo-2-fluoro-N-(4-hydroxyphenyl)benzamide
CID 28739625
N-(6-amino-3-pyridinyl)-2,4,6-trifluorobenzamide
CID 65100279
N-[(4-chlorophenyl)carbamoyl]-2,4,6-trifluorobenzamide
CID 53439408
2,4,6-trifluoro-N-[4-[4-fluoro-2-(trifluoromethyl)anilino]phenyl]benzamide
CID 90395970
5-bromo-N-(4-bromo-3-fluorophenyl)-2-fluorobenzamide
CID 65438137
N-(3-amino-4-methoxyphenyl)-2,4,6-trifluorobenzamide
CID 65100627
2,4,6-trifluoro-N-[3-(hydroxymethyl)phenyl]benzamide
CID 65100821
N-(4-bromophenyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 45030503
N-[4-(2,4,6-trifluorobenzoyl)phenyl]acetamide
CID 65101340

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2,4,6-trifluorobenzamide?
The IUPAC name of N-(4-bromophenyl)-2,4,6-trifluorobenzamide (CID 65098972) is N-(4-bromophenyl)-2,4,6-trifluorobenzamide.
What is the SMILES notation for N-(4-bromophenyl)-2,4,6-trifluorobenzamide?
The canonical SMILES for N-(4-bromophenyl)-2,4,6-trifluorobenzamide is O=C(Nc1ccc(Br)cc1)c1c(F)cc(F)cc1F.
What is the InChIKey of N-(4-bromophenyl)-2,4,6-trifluorobenzamide?
The InChIKey is AIPSEVGCWGWTJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrF3NO/c14-7-1-3-9(4-2-7)18-13(19)12-10(16)5-8(15)6-11(12)17/h1-6H,(H,18,19).
What are the key properties of N-(4-bromophenyl)-2,4,6-trifluorobenzamide?
N-(4-bromophenyl)-2,4,6-trifluorobenzamide has a molecular weight of 330.10 g/mol, XLogP of 4.12, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2,4,6-trifluorobenzamide is sourced from PubChem (CID 65098972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).