3-bromo-N-(2-bromo-3-ethylpentyl)-4-fluorobenzamide

C14H18Br2FNO — CID 106288362

IUPAC3-bromo-N-(2-bromo-3-ethylpentyl)-4-fluorobenzamide
SMILESCCC(CC)C(Br)CNC(=O)c1ccc(F)c(Br)c1
InChIInChI=1S/C14H18Br2FNO/c1-3-9(4-2)12(16)8-18-14(19)10-5-6-13(17)11(15)7-10/h5-7,9,12H,3-4,8H2,1-2H3,(H,18,19)
InChIKeyGDFFJOVQEQDMFF-UHFFFAOYSA-N
MW395.11 g/mol
LogP4.52
Rot. Bonds6

About 3-bromo-N-(2-bromo-3-ethylpentyl)-4-fluorobenzamide

3-bromo-N-(2-bromo-3-ethylpentyl)-4-fluorobenzamide (PubChem CID 106288362) has the molecular formula C14H18Br2FNO and a molecular weight of 395.11 g/mol. Its IUPAC name is 3-bromo-N-(2-bromo-3-ethylpentyl)-4-fluorobenzamide.

Molecular Properties

Compound Name3-bromo-N-(2-bromo-3-ethylpentyl)-4-fluorobenzamide
PubChem CID106288362
Molecular FormulaC14H18Br2FNO
Molecular Weight395.11 g/mol
Exact Mass392.97
IUPAC Name3-bromo-N-(2-bromo-3-ethylpentyl)-4-fluorobenzamide
SMILESCCC(CC)C(Br)CNC(=O)c1ccc(F)c(Br)c1
InChIInChI=1S/C14H18Br2FNO/c1-3-9(4-2)12(16)8-18-14(19)10-5-6-13(17)11(15)7-10/h5-7,9,12H,3-4,8H2,1-2H3,(H,18,19)
InChIKeyGDFFJOVQEQDMFF-UHFFFAOYSA-N
XLogP4.52
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.11
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-N-(2-bromo-3-methylbutyl)-4-fluorobenzamide
CID 107956828
4-bromo-N-(2-bromo-3-ethylpentyl)-3-methylbenzamide
CID 106288005
N-(2-aminopropyl)-3-bromo-4-fluorobenzamide
CID 107956111
N-(2-bromo-3-ethylpentyl)-3-fluoro-4-methoxybenzamide
CID 106288554
4-bromo-N-(2-bromo-3-ethylpentyl)benzamide
CID 114168864
3-bromo-N-(4-bromo-2-ethylbutyl)-4-fluorobenzamide
CID 107956765
methyl 3-[(3-bromo-4-fluorobenzoyl)amino]-2-iodopropanoate
CID 107956905
N-(2-bromo-3-ethylpentyl)naphthalene-2-carboxamide
CID 106288101
3-bromo-4-fluoro-N-[(2S)-2-methyl-3-(methylamino)propyl]benzamide
CID 99849695
N-(2-bromo-3-ethylpentyl)-4-(trifluoromethyl)benzamide
CID 106288527
N-(2-bromo-3-ethylpentyl)-3,4-dimethoxybenzamide
CID 106288438
N-(2-amino-2-phenylethyl)-3-bromo-4-fluorobenzamide
CID 103806531

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2-bromo-3-ethylpentyl)-4-fluorobenzamide?
The IUPAC name of 3-bromo-N-(2-bromo-3-ethylpentyl)-4-fluorobenzamide (CID 106288362) is 3-bromo-N-(2-bromo-3-ethylpentyl)-4-fluorobenzamide.
What is the SMILES notation for 3-bromo-N-(2-bromo-3-ethylpentyl)-4-fluorobenzamide?
The canonical SMILES for 3-bromo-N-(2-bromo-3-ethylpentyl)-4-fluorobenzamide is CCC(CC)C(Br)CNC(=O)c1ccc(F)c(Br)c1.
What is the InChIKey of 3-bromo-N-(2-bromo-3-ethylpentyl)-4-fluorobenzamide?
The InChIKey is GDFFJOVQEQDMFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Br2FNO/c1-3-9(4-2)12(16)8-18-14(19)10-5-6-13(17)11(15)7-10/h5-7,9,12H,3-4,8H2,1-2H3,(H,18,19).
What are the key properties of 3-bromo-N-(2-bromo-3-ethylpentyl)-4-fluorobenzamide?
3-bromo-N-(2-bromo-3-ethylpentyl)-4-fluorobenzamide has a molecular weight of 395.11 g/mol, XLogP of 4.52, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(2-bromo-3-ethylpentyl)-4-fluorobenzamide is sourced from PubChem (CID 106288362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).