N-(2-bromo-4,4-dimethylpentyl)-3-fluoro-5-methylbenzamide

C15H21BrFNO — CID 107156586

IUPACN-(2-bromo-4,4-dimethylpentyl)-3-fluoro-5-methylbenzamide
SMILESCc1cc(F)cc(C(=O)NCC(Br)CC(C)(C)C)c1
InChIInChI=1S/C15H21BrFNO/c1-10-5-11(7-13(17)6-10)14(19)18-9-12(16)8-15(2,3)4/h5-7,12H,8-9H2,1-4H3,(H,18,19)
InChIKeyGIKMCYGRILCYJS-UHFFFAOYSA-N
MW330.24 g/mol
LogP4.06
Rot. Bonds4

About N-(2-bromo-4,4-dimethylpentyl)-3-fluoro-5-methylbenzamide

N-(2-bromo-4,4-dimethylpentyl)-3-fluoro-5-methylbenzamide (PubChem CID 107156586) has the molecular formula C15H21BrFNO and a molecular weight of 330.24 g/mol. Its IUPAC name is N-(2-bromo-4,4-dimethylpentyl)-3-fluoro-5-methylbenzamide.

Molecular Properties

Compound NameN-(2-bromo-4,4-dimethylpentyl)-3-fluoro-5-methylbenzamide
PubChem CID107156586
Molecular FormulaC15H21BrFNO
Molecular Weight330.24 g/mol
Exact Mass329.08
IUPAC NameN-(2-bromo-4,4-dimethylpentyl)-3-fluoro-5-methylbenzamide
SMILESCc1cc(F)cc(C(=O)NCC(Br)CC(C)(C)C)c1
InChIInChI=1S/C15H21BrFNO/c1-10-5-11(7-13(17)6-10)14(19)18-9-12(16)8-15(2,3)4/h5-7,12H,8-9H2,1-4H3,(H,18,19)
InChIKeyGIKMCYGRILCYJS-UHFFFAOYSA-N
XLogP4.06
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.24
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-(2-bromo-4,4-dimethylpentyl)-3-fluoro-5-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-bromo-4,4-dimethylpentyl)-4-chloro-3-fluorobenzamide
CID 114025307
N-(2-bromo-4,4-dimethylpentyl)-3,4-dihydroxybenzamide
CID 107729126
4-bromo-N-(2-bromo-4,4-dimethylpentyl)-2-fluorobenzamide
CID 107156635
N-(2-ethyl-4-hydroxybutyl)-3-fluoro-5-methylbenzamide
CID 112699624
2-bromo-N-(2-bromo-4,4-dimethylpentyl)-3-methylbenzamide
CID 107984077
N-(2-bromo-4,4-dimethylpentyl)-4-ethoxybenzamide
CID 107156509
N-(2-bromo-4,4-dimethylpentyl)-1,3-benzodioxole-5-carboxamide
CID 107156512
3-fluoro-N-(3-hydroxybutyl)-5-methylbenzamide
CID 115659969
3-fluoro-5-methyl-N-(2-methylprop-2-enyl)benzamide
CID 114618286
N-(2-bromo-4,4-dimethylpentyl)-2-(2,6-difluorophenyl)acetamide
CID 107156403
N-(2-chloro-4,4-dimethylpentyl)-3-fluorobenzamide
CID 107156883
N-(2-bromo-4,4-dimethylpentyl)-2-(3,4-dimethylphenyl)acetamide
CID 107156584

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4,4-dimethylpentyl)-3-fluoro-5-methylbenzamide?
The IUPAC name of N-(2-bromo-4,4-dimethylpentyl)-3-fluoro-5-methylbenzamide (CID 107156586) is N-(2-bromo-4,4-dimethylpentyl)-3-fluoro-5-methylbenzamide.
What is the SMILES notation for N-(2-bromo-4,4-dimethylpentyl)-3-fluoro-5-methylbenzamide?
The canonical SMILES for N-(2-bromo-4,4-dimethylpentyl)-3-fluoro-5-methylbenzamide is Cc1cc(F)cc(C(=O)NCC(Br)CC(C)(C)C)c1.
What is the InChIKey of N-(2-bromo-4,4-dimethylpentyl)-3-fluoro-5-methylbenzamide?
The InChIKey is GIKMCYGRILCYJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrFNO/c1-10-5-11(7-13(17)6-10)14(19)18-9-12(16)8-15(2,3)4/h5-7,12H,8-9H2,1-4H3,(H,18,19).
What are the key properties of N-(2-bromo-4,4-dimethylpentyl)-3-fluoro-5-methylbenzamide?
N-(2-bromo-4,4-dimethylpentyl)-3-fluoro-5-methylbenzamide has a molecular weight of 330.24 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4,4-dimethylpentyl)-3-fluoro-5-methylbenzamide is sourced from PubChem (CID 107156586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).