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

C11H11BrF3NO — CID 103601724

IUPAC5-bromo-N-(2,3,4-trifluorophenyl)pentanamide
SMILESO=C(CCCCBr)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C11H11BrF3NO/c12-6-2-1-3-9(17)16-8-5-4-7(13)10(14)11(8)15/h4-5H,1-3,6H2,(H,16,17)
InChIKeyACCLUTWQLQBUHN-UHFFFAOYSA-N
MW310.11 g/mol
LogP3.61
Rot. Bonds5

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

5-bromo-N-(2,3,4-trifluorophenyl)pentanamide (PubChem CID 103601724) has the molecular formula C11H11BrF3NO and a molecular weight of 310.11 g/mol. Its IUPAC name is 5-bromo-N-(2,3,4-trifluorophenyl)pentanamide.

Molecular Properties

Compound Name5-bromo-N-(2,3,4-trifluorophenyl)pentanamide
PubChem CID103601724
Molecular FormulaC11H11BrF3NO
Molecular Weight310.11 g/mol
Exact Mass309.00
IUPAC Name5-bromo-N-(2,3,4-trifluorophenyl)pentanamide
SMILESO=C(CCCCBr)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C11H11BrF3NO/c12-6-2-1-3-9(17)16-8-5-4-7(13)10(14)11(8)15/h4-5H,1-3,6H2,(H,16,17)
InChIKeyACCLUTWQLQBUHN-UHFFFAOYSA-N
XLogP3.61
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.11
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-N-(2,5-difluorophenyl)pentanamide
CID 103601723
3-(5-bromopentanoylamino)-4-fluorobenzoic acid
CID 107908999
4-thiophen-2-yl-N-(2,3,4-trifluorophenyl)butanamide
CID 78781844
4-(3-bromophenoxy)-N-(2,3,4-trifluorophenyl)butanamide
CID 7958724
3-pyridin-4-yl-N-(2,3,4-trifluorophenyl)propanamide
CID 110468478
[2-(5-bromopentanoylamino)phenyl]carbamic acid
CID 175518912
4-(bromomethyl)-N-(2,3,4-trifluorophenyl)benzamide
CID 102850799
methyl 2-(5-bromopentanoylamino)-4-chlorobenzoate
CID 107907432
3-(2-methylpropylamino)-N-(2,3,4-trifluorophenyl)propanamide
CID 109012916
2,2-dimethyl-N-[3-oxo-3-(2,3,4-trifluoroanilino)propyl]propanamide
CID 18155036
4-(5-bromo-1,3-dioxoisoindol-2-yl)-N-(2,3,4-trifluorophenyl)butanamide
CID 30430903
N,N-dimethyl-4-[3-oxo-3-(2,3,4-trifluoroanilino)propyl]benzamide
CID 110300090

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2,3,4-trifluorophenyl)pentanamide?
The IUPAC name of 5-bromo-N-(2,3,4-trifluorophenyl)pentanamide (CID 103601724) is 5-bromo-N-(2,3,4-trifluorophenyl)pentanamide.
What is the SMILES notation for 5-bromo-N-(2,3,4-trifluorophenyl)pentanamide?
The canonical SMILES for 5-bromo-N-(2,3,4-trifluorophenyl)pentanamide is O=C(CCCCBr)Nc1ccc(F)c(F)c1F.
What is the InChIKey of 5-bromo-N-(2,3,4-trifluorophenyl)pentanamide?
The InChIKey is ACCLUTWQLQBUHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrF3NO/c12-6-2-1-3-9(17)16-8-5-4-7(13)10(14)11(8)15/h4-5H,1-3,6H2,(H,16,17).
What are the key properties of 5-bromo-N-(2,3,4-trifluorophenyl)pentanamide?
5-bromo-N-(2,3,4-trifluorophenyl)pentanamide has a molecular weight of 310.11 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2,3,4-trifluorophenyl)pentanamide is sourced from PubChem (CID 103601724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).