N-(4-bromo-3-fluorophenyl)octanamide

C14H19BrFNO — CID 65429012

IUPACN-(4-bromo-3-fluorophenyl)octanamide
SMILESCCCCCCCC(=O)Nc1ccc(Br)c(F)c1
InChIInChI=1S/C14H19BrFNO/c1-2-3-4-5-6-7-14(18)17-11-8-9-12(15)13(16)10-11/h8-10H,2-7H2,1H3,(H,17,18)
InChIKeyOTHWVMBBJDXQDU-UHFFFAOYSA-N
MW316.21 g/mol
LogP4.89
Rot. Bonds7

About N-(4-bromo-3-fluorophenyl)octanamide

N-(4-bromo-3-fluorophenyl)octanamide (PubChem CID 65429012) has the molecular formula C14H19BrFNO and a molecular weight of 316.21 g/mol. Its IUPAC name is N-(4-bromo-3-fluorophenyl)octanamide.

Molecular Properties

Compound NameN-(4-bromo-3-fluorophenyl)octanamide
PubChem CID65429012
Molecular FormulaC14H19BrFNO
Molecular Weight316.21 g/mol
Exact Mass315.06
IUPAC NameN-(4-bromo-3-fluorophenyl)octanamide
SMILESCCCCCCCC(=O)Nc1ccc(Br)c(F)c1
InChIInChI=1S/C14H19BrFNO/c1-2-3-4-5-6-7-14(18)17-11-8-9-12(15)13(16)10-11/h8-10H,2-7H2,1H3,(H,17,18)
InChIKeyOTHWVMBBJDXQDU-UHFFFAOYSA-N
XLogP4.89
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.21
LogP ≤ 54.89
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

N-(4-bromo-3-fluorophenyl)-5-chloropentanamide
CID 65436710
N-(3-fluoro-4-hydroxyphenyl)decanamide
CID 65426538
N-(4-bromo-3-chlorophenyl)decanamide
CID 107620607
N-(4-bromo-3-fluorophenyl)-4-methylpentanamide
CID 65437614
N-[4-(icosanoylamino)phenyl]icosanamide
CID 101291044
N-(4-bromo-3-fluorophenyl)pent-4-enamide
CID 65429936
N-(3-bromophenyl)heptanamide
CID 4596383
N-[3-fluoro-4-(2-methoxyethoxy)phenyl]octanamide
CID 60574223
N-(3,4-difluorophenyl)-N'-hydroxyoctanediamide
CID 58624316
N-(3,4-dimethylphenyl)dodecanamide
CID 4067786
N-(4-chlorophenyl)tridecanamide
CID 4195215
2-bromo-5-(pentanoylamino)benzoic acid
CID 115295715

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-fluorophenyl)octanamide?
The IUPAC name of N-(4-bromo-3-fluorophenyl)octanamide (CID 65429012) is N-(4-bromo-3-fluorophenyl)octanamide.
What is the SMILES notation for N-(4-bromo-3-fluorophenyl)octanamide?
The canonical SMILES for N-(4-bromo-3-fluorophenyl)octanamide is CCCCCCCC(=O)Nc1ccc(Br)c(F)c1.
What is the InChIKey of N-(4-bromo-3-fluorophenyl)octanamide?
The InChIKey is OTHWVMBBJDXQDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrFNO/c1-2-3-4-5-6-7-14(18)17-11-8-9-12(15)13(16)10-11/h8-10H,2-7H2,1H3,(H,17,18).
What are the key properties of N-(4-bromo-3-fluorophenyl)octanamide?
N-(4-bromo-3-fluorophenyl)octanamide has a molecular weight of 316.21 g/mol, XLogP of 4.89, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-fluorophenyl)octanamide is sourced from PubChem (CID 65429012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).