3-bromo-N-(2,4,5-trifluorophenyl)benzamide

C13H7BrF3NO — CID 62816801

IUPAC3-bromo-N-(2,4,5-trifluorophenyl)benzamide
SMILESO=C(Nc1cc(F)c(F)cc1F)c1cccc(Br)c1
InChIInChI=1S/C13H7BrF3NO/c14-8-3-1-2-7(4-8)13(19)18-12-6-10(16)9(15)5-11(12)17/h1-6H,(H,18,19)
InChIKeyQMSJNXKXXHQBSR-UHFFFAOYSA-N
MW330.10 g/mol
LogP4.12
Rot. Bonds2

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

3-bromo-N-(2,4,5-trifluorophenyl)benzamide (PubChem CID 62816801) has the molecular formula C13H7BrF3NO and a molecular weight of 330.10 g/mol. Its IUPAC name is 3-bromo-N-(2,4,5-trifluorophenyl)benzamide.

Molecular Properties

Compound Name3-bromo-N-(2,4,5-trifluorophenyl)benzamide
PubChem CID62816801
Molecular FormulaC13H7BrF3NO
Molecular Weight330.10 g/mol
Exact Mass328.97
IUPAC Name3-bromo-N-(2,4,5-trifluorophenyl)benzamide
SMILESO=C(Nc1cc(F)c(F)cc1F)c1cccc(Br)c1
InChIInChI=1S/C13H7BrF3NO/c14-8-3-1-2-7(4-8)13(19)18-12-6-10(16)9(15)5-11(12)17/h1-6H,(H,18,19)
InChIKeyQMSJNXKXXHQBSR-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

Computed Properties (RDKit)

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

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Related Compounds

methyl 5-[(3-bromobenzoyl)amino]-2,4-difluorobenzoate
CID 46539881
3-[(2,4,5-trifluorophenyl)carbamoyl]benzoic acid
CID 62811130
3-[(3-bromobenzoyl)amino]-4-fluorobenzoic acid
CID 60748935
3-bromo-4-fluoro-N-(2,4,5-trifluorophenyl)benzamide
CID 103707329
3-bromo-N-(2,3,4,5,6-pentafluorophenyl)benzamide
CID 4048917
3-amino-N-(5-bromo-2,4-difluorophenyl)benzamide
CID 102852339
3-bromo-N-(2,5-dichlorophenyl)benzamide
CID 765435
3-bromo-N-(4-chloro-2-iodophenyl)benzamide
CID 107626124
3-bromo-N-[(4-bromo-2-fluorophenyl)carbamothioyl]benzamide
CID 22779598
3-bromo-N-(3-hydroxy-2-methylphenyl)benzamide
CID 64793442
3-bromo-N-(3-chloro-4-fluorophenyl)benzamide
CID 789113
3-bromo-N-(4-chloro-3-fluorophenyl)benzamide
CID 60776244

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2,4,5-trifluorophenyl)benzamide?
The IUPAC name of 3-bromo-N-(2,4,5-trifluorophenyl)benzamide (CID 62816801) is 3-bromo-N-(2,4,5-trifluorophenyl)benzamide.
What is the SMILES notation for 3-bromo-N-(2,4,5-trifluorophenyl)benzamide?
The canonical SMILES for 3-bromo-N-(2,4,5-trifluorophenyl)benzamide is O=C(Nc1cc(F)c(F)cc1F)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-(2,4,5-trifluorophenyl)benzamide?
The InChIKey is QMSJNXKXXHQBSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrF3NO/c14-8-3-1-2-7(4-8)13(19)18-12-6-10(16)9(15)5-11(12)17/h1-6H,(H,18,19).
What are the key properties of 3-bromo-N-(2,4,5-trifluorophenyl)benzamide?
3-bromo-N-(2,4,5-trifluorophenyl)benzamide 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 3-bromo-N-(2,4,5-trifluorophenyl)benzamide is sourced from PubChem (CID 62816801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).