2-bromo-4-chloro-N-(5,5,5-trifluoropentyl)benzamide

C12H12BrClF3NO — CID 103839346

IUPAC2-bromo-4-chloro-N-(5,5,5-trifluoropentyl)benzamide
SMILESO=C(NCCCCC(F)(F)F)c1ccc(Cl)cc1Br
InChIInChI=1S/C12H12BrClF3NO/c13-10-7-8(14)3-4-9(10)11(19)18-6-2-1-5-12(15,16)17/h3-4,7H,1-2,5-6H2,(H,18,19)
InChIKeyADTGBFOZCBERPA-UHFFFAOYSA-N
MW358.59 g/mol
LogP4.56
Rot. Bonds5

About 2-bromo-4-chloro-N-(5,5,5-trifluoropentyl)benzamide

2-bromo-4-chloro-N-(5,5,5-trifluoropentyl)benzamide (PubChem CID 103839346) has the molecular formula C12H12BrClF3NO and a molecular weight of 358.59 g/mol. Its IUPAC name is 2-bromo-4-chloro-N-(5,5,5-trifluoropentyl)benzamide.

Molecular Properties

Compound Name2-bromo-4-chloro-N-(5,5,5-trifluoropentyl)benzamide
PubChem CID103839346
Molecular FormulaC12H12BrClF3NO
Molecular Weight358.59 g/mol
Exact Mass356.97
IUPAC Name2-bromo-4-chloro-N-(5,5,5-trifluoropentyl)benzamide
SMILESO=C(NCCCCC(F)(F)F)c1ccc(Cl)cc1Br
InChIInChI=1S/C12H12BrClF3NO/c13-10-7-8(14)3-4-9(10)11(19)18-6-2-1-5-12(15,16)17/h3-4,7H,1-2,5-6H2,(H,18,19)
InChIKeyADTGBFOZCBERPA-UHFFFAOYSA-N
XLogP4.56
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.59
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-4-chloro-N-(5-hydroxypentyl)benzamide
CID 107342949
2-bromo-4-fluoro-N-(4,4,4-trifluorobutyl)benzamide
CID 79039788
2-bromo-4-chloro-N-(4-methoxybutyl)benzamide
CID 103763962
5-amino-2-bromo-4-fluoro-N-(5,5,5-trifluoropentyl)benzamide
CID 115514877
methyl 5-[(2-bromo-4-chlorobenzoyl)amino]pentanoate
CID 91659527
3-bromo-4-fluoro-N-(5,5,5-trifluoropentyl)benzamide
CID 103839347
2-fluoro-5-sulfanyl-N-(5,5,5-trifluoropentyl)benzamide
CID 107033370
5-amino-2-chloro-N-(5,5,5-trifluoropentyl)benzamide
CID 115514902
2-fluoro-N-(5,5,5-trifluoropentyl)benzamide
CID 113322083
2-bromo-4-chloro-N-(3-ethenoxypropyl)benzamide
CID 107988215
2-bromo-5-methoxy-N-(5,5,5-trifluoropentyl)benzamide
CID 115491577
2-bromo-4-chloro-N-(5-hydroxy-4-methylpentyl)benzamide
CID 103862023

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-chloro-N-(5,5,5-trifluoropentyl)benzamide?
The IUPAC name of 2-bromo-4-chloro-N-(5,5,5-trifluoropentyl)benzamide (CID 103839346) is 2-bromo-4-chloro-N-(5,5,5-trifluoropentyl)benzamide.
What is the SMILES notation for 2-bromo-4-chloro-N-(5,5,5-trifluoropentyl)benzamide?
The canonical SMILES for 2-bromo-4-chloro-N-(5,5,5-trifluoropentyl)benzamide is O=C(NCCCCC(F)(F)F)c1ccc(Cl)cc1Br.
What is the InChIKey of 2-bromo-4-chloro-N-(5,5,5-trifluoropentyl)benzamide?
The InChIKey is ADTGBFOZCBERPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrClF3NO/c13-10-7-8(14)3-4-9(10)11(19)18-6-2-1-5-12(15,16)17/h3-4,7H,1-2,5-6H2,(H,18,19).
What are the key properties of 2-bromo-4-chloro-N-(5,5,5-trifluoropentyl)benzamide?
2-bromo-4-chloro-N-(5,5,5-trifluoropentyl)benzamide has a molecular weight of 358.59 g/mol, XLogP of 4.56, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-chloro-N-(5,5,5-trifluoropentyl)benzamide is sourced from PubChem (CID 103839346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).