3-bromo-N-(2,3,4,5,6-pentafluorophenyl)benzamide

C13H5BrF5NO — CID 4048917

IUPAC3-bromo-N-(2,3,4,5,6-pentafluorophenyl)benzamide
SMILESO=C(Nc1c(F)c(F)c(F)c(F)c1F)c1cccc(Br)c1
InChIInChI=1S/C13H5BrF5NO/c14-6-3-1-2-5(4-6)13(21)20-12-10(18)8(16)7(15)9(17)11(12)19/h1-4H,(H,20,21)
InChIKeyQKTCEALIXRGBRM-UHFFFAOYSA-N
MW366.08 g/mol
LogP4.40
Rot. Bonds2

About 3-bromo-N-(2,3,4,5,6-pentafluorophenyl)benzamide

3-bromo-N-(2,3,4,5,6-pentafluorophenyl)benzamide (PubChem CID 4048917) has the molecular formula C13H5BrF5NO and a molecular weight of 366.08 g/mol. Its IUPAC name is 3-bromo-N-(2,3,4,5,6-pentafluorophenyl)benzamide.

Molecular Properties

Compound Name3-bromo-N-(2,3,4,5,6-pentafluorophenyl)benzamide
PubChem CID4048917
Molecular FormulaC13H5BrF5NO
Molecular Weight366.08 g/mol
Exact Mass364.95
IUPAC Name3-bromo-N-(2,3,4,5,6-pentafluorophenyl)benzamide
SMILESO=C(Nc1c(F)c(F)c(F)c(F)c1F)c1cccc(Br)c1
InChIInChI=1S/C13H5BrF5NO/c14-6-3-1-2-5(4-6)13(21)20-12-10(18)8(16)7(15)9(17)11(12)19/h1-4H,(H,20,21)
InChIKeyQKTCEALIXRGBRM-UHFFFAOYSA-N
XLogP4.40
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.08
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

3-bromo-N-(2-chloro-4,6-difluorophenyl)benzamide
CID 82889682
3-bromo-N-(2,4,5-trifluorophenyl)benzamide
CID 62816801
3-bromo-N-(3-chloro-4-fluorophenyl)benzamide
CID 789113
3-[(3-bromobenzoyl)amino]-4-fluorobenzoic acid
CID 60748935
3-bromo-N-(5-fluoro-2-pyridinyl)benzamide
CID 52886230
3-bromo-N-(4-chloro-3-fluorophenyl)benzamide
CID 60776244
3-bromo-N-pyridin-4-ylbenzamide
CID 4130300
3-bromo-N-(2-hydroxy-6-nitrophenyl)benzamide
CID 107681117
N-benzoyl-3-bromobenzamide
CID 118577200
3-benzamido-N-(3-bromophenyl)benzamide
CID 1304486
3-bromo-N-(3-bromo-5-methylphenyl)benzamide
CID 107583869
4-[(3-bromobenzoyl)amino]benzoate
CID 6943789

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2,3,4,5,6-pentafluorophenyl)benzamide?
The IUPAC name of 3-bromo-N-(2,3,4,5,6-pentafluorophenyl)benzamide (CID 4048917) is 3-bromo-N-(2,3,4,5,6-pentafluorophenyl)benzamide.
What is the SMILES notation for 3-bromo-N-(2,3,4,5,6-pentafluorophenyl)benzamide?
The canonical SMILES for 3-bromo-N-(2,3,4,5,6-pentafluorophenyl)benzamide is O=C(Nc1c(F)c(F)c(F)c(F)c1F)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-(2,3,4,5,6-pentafluorophenyl)benzamide?
The InChIKey is QKTCEALIXRGBRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H5BrF5NO/c14-6-3-1-2-5(4-6)13(21)20-12-10(18)8(16)7(15)9(17)11(12)19/h1-4H,(H,20,21).
What are the key properties of 3-bromo-N-(2,3,4,5,6-pentafluorophenyl)benzamide?
3-bromo-N-(2,3,4,5,6-pentafluorophenyl)benzamide has a molecular weight of 366.08 g/mol, XLogP of 4.40, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(2,3,4,5,6-pentafluorophenyl)benzamide is sourced from PubChem (CID 4048917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).