N-(2-bromo-6-chloro-4-fluorophenyl)-4-methylpentanamide

C12H14BrClFNO — CID 103867779

IUPACN-(2-bromo-6-chloro-4-fluorophenyl)-4-methylpentanamide
SMILESCC(C)CCC(=O)Nc1c(Cl)cc(F)cc1Br
InChIInChI=1S/C12H14BrClFNO/c1-7(2)3-4-11(17)16-12-9(13)5-8(15)6-10(12)14/h5-7H,3-4H2,1-2H3,(H,16,17)
InChIKeyCIAOXDABFBPIIM-UHFFFAOYSA-N
MW322.61 g/mol
LogP4.62
Rot. Bonds4

About N-(2-bromo-6-chloro-4-fluorophenyl)-4-methylpentanamide

N-(2-bromo-6-chloro-4-fluorophenyl)-4-methylpentanamide (PubChem CID 103867779) has the molecular formula C12H14BrClFNO and a molecular weight of 322.61 g/mol. Its IUPAC name is N-(2-bromo-6-chloro-4-fluorophenyl)-4-methylpentanamide.

Molecular Properties

Compound NameN-(2-bromo-6-chloro-4-fluorophenyl)-4-methylpentanamide
PubChem CID103867779
Molecular FormulaC12H14BrClFNO
Molecular Weight322.61 g/mol
Exact Mass320.99
IUPAC NameN-(2-bromo-6-chloro-4-fluorophenyl)-4-methylpentanamide
SMILESCC(C)CCC(=O)Nc1c(Cl)cc(F)cc1Br
InChIInChI=1S/C12H14BrClFNO/c1-7(2)3-4-11(17)16-12-9(13)5-8(15)6-10(12)14/h5-7H,3-4H2,1-2H3,(H,16,17)
InChIKeyCIAOXDABFBPIIM-UHFFFAOYSA-N
XLogP4.62
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.61
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-6-chloro-4-fluorophenyl)-4-methylpentanamide?
The IUPAC name of N-(2-bromo-6-chloro-4-fluorophenyl)-4-methylpentanamide (CID 103867779) is N-(2-bromo-6-chloro-4-fluorophenyl)-4-methylpentanamide.
What is the SMILES notation for N-(2-bromo-6-chloro-4-fluorophenyl)-4-methylpentanamide?
The canonical SMILES for N-(2-bromo-6-chloro-4-fluorophenyl)-4-methylpentanamide is CC(C)CCC(=O)Nc1c(Cl)cc(F)cc1Br.
What is the InChIKey of N-(2-bromo-6-chloro-4-fluorophenyl)-4-methylpentanamide?
The InChIKey is CIAOXDABFBPIIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrClFNO/c1-7(2)3-4-11(17)16-12-9(13)5-8(15)6-10(12)14/h5-7H,3-4H2,1-2H3,(H,16,17).
What are the key properties of N-(2-bromo-6-chloro-4-fluorophenyl)-4-methylpentanamide?
N-(2-bromo-6-chloro-4-fluorophenyl)-4-methylpentanamide has a molecular weight of 322.61 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-6-chloro-4-fluorophenyl)-4-methylpentanamide is sourced from PubChem (CID 103867779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).