6-(4-bromo-2,5-difluorophenyl)-N,N-dimethylhexanamide

C14H18BrF2NO — CID 118889039

IUPAC6-(4-bromo-2,5-difluorophenyl)-N,N-dimethylhexanamide
SMILESCN(C)C(=O)CCCCCc1cc(F)c(Br)cc1F
InChIInChI=1S/C14H18BrF2NO/c1-18(2)14(19)7-5-3-4-6-10-8-13(17)11(15)9-12(10)16/h8-9H,3-7H2,1-2H3
InChIKeyQKGGQDVROQTOJR-UHFFFAOYSA-N
MW334.20 g/mol
LogP3.92
Rot. Bonds6

About 6-(4-bromo-2,5-difluorophenyl)-N,N-dimethylhexanamide

6-(4-bromo-2,5-difluorophenyl)-N,N-dimethylhexanamide (PubChem CID 118889039) has the molecular formula C14H18BrF2NO and a molecular weight of 334.20 g/mol. Its IUPAC name is 6-(4-bromo-2,5-difluorophenyl)-N,N-dimethylhexanamide.

Molecular Properties

Compound Name6-(4-bromo-2,5-difluorophenyl)-N,N-dimethylhexanamide
PubChem CID118889039
Molecular FormulaC14H18BrF2NO
Molecular Weight334.20 g/mol
Exact Mass333.05
IUPAC Name6-(4-bromo-2,5-difluorophenyl)-N,N-dimethylhexanamide
SMILESCN(C)C(=O)CCCCCc1cc(F)c(Br)cc1F
InChIInChI=1S/C14H18BrF2NO/c1-18(2)14(19)7-5-3-4-6-10-8-13(17)11(15)9-12(10)16/h8-9H,3-7H2,1-2H3
InChIKeyQKGGQDVROQTOJR-UHFFFAOYSA-N
XLogP3.92
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.20
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(4-bromo-2,5-difluorophenyl)-N,N-dimethylhexanamide?
The IUPAC name of 6-(4-bromo-2,5-difluorophenyl)-N,N-dimethylhexanamide (CID 118889039) is 6-(4-bromo-2,5-difluorophenyl)-N,N-dimethylhexanamide.
What is the SMILES notation for 6-(4-bromo-2,5-difluorophenyl)-N,N-dimethylhexanamide?
The canonical SMILES for 6-(4-bromo-2,5-difluorophenyl)-N,N-dimethylhexanamide is CN(C)C(=O)CCCCCc1cc(F)c(Br)cc1F.
What is the InChIKey of 6-(4-bromo-2,5-difluorophenyl)-N,N-dimethylhexanamide?
The InChIKey is QKGGQDVROQTOJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrF2NO/c1-18(2)14(19)7-5-3-4-6-10-8-13(17)11(15)9-12(10)16/h8-9H,3-7H2,1-2H3.
What are the key properties of 6-(4-bromo-2,5-difluorophenyl)-N,N-dimethylhexanamide?
6-(4-bromo-2,5-difluorophenyl)-N,N-dimethylhexanamide has a molecular weight of 334.20 g/mol, XLogP of 3.92, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-bromo-2,5-difluorophenyl)-N,N-dimethylhexanamide is sourced from PubChem (CID 118889039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).