N-(2-bromo-3-ethylpentyl)-4-(trifluoromethyl)benzamide

C15H19BrF3NO — CID 106288527

IUPACN-(2-bromo-3-ethylpentyl)-4-(trifluoromethyl)benzamide
SMILESCCC(CC)C(Br)CNC(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H19BrF3NO/c1-3-10(4-2)13(16)9-20-14(21)11-5-7-12(8-6-11)15(17,18)19/h5-8,10,13H,3-4,9H2,1-2H3,(H,20,21)
InChIKeyVSFDYHJQPPNAKI-UHFFFAOYSA-N
MW366.22 g/mol
LogP4.63
Rot. Bonds6

About N-(2-bromo-3-ethylpentyl)-4-(trifluoromethyl)benzamide

N-(2-bromo-3-ethylpentyl)-4-(trifluoromethyl)benzamide (PubChem CID 106288527) has the molecular formula C15H19BrF3NO and a molecular weight of 366.22 g/mol. Its IUPAC name is N-(2-bromo-3-ethylpentyl)-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(2-bromo-3-ethylpentyl)-4-(trifluoromethyl)benzamide
PubChem CID106288527
Molecular FormulaC15H19BrF3NO
Molecular Weight366.22 g/mol
Exact Mass365.06
IUPAC NameN-(2-bromo-3-ethylpentyl)-4-(trifluoromethyl)benzamide
SMILESCCC(CC)C(Br)CNC(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H19BrF3NO/c1-3-10(4-2)13(16)9-20-14(21)11-5-7-12(8-6-11)15(17,18)19/h5-8,10,13H,3-4,9H2,1-2H3,(H,20,21)
InChIKeyVSFDYHJQPPNAKI-UHFFFAOYSA-N
XLogP4.63
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.22
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-(2-bromo-3-ethylpentyl)-4-(trifluoromethyl)benzamide 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-3-ethylpentyl)-3-(trifluoromethyl)benzamide
CID 106288561
4-bromo-N-(2-bromo-3-ethylpentyl)benzamide
CID 114168864
3-bromo-N-(2-bromo-3-ethylpentyl)-4-fluorobenzamide
CID 106288362
N-(2,2-diethoxyethyl)-4-(trifluoromethyl)benzamide
CID 78909661
N-(2-bromo-3-ethylpentyl)naphthalene-2-carboxamide
CID 106288101
4-bromo-N-(2-bromo-3-ethylpentyl)-3-methylbenzamide
CID 106288005
N-(2-bromo-3-ethylpentyl)-3,4-dimethoxybenzamide
CID 106288438
N-(2-bromo-3-ethylpentyl)-3-fluoro-4-methoxybenzamide
CID 106288554
N-(2-amino-2-cyclopropylethyl)-4-(trifluoromethyl)benzamide
CID 63767271
N-(2-bromo-3-ethylpentyl)-3-(difluoromethoxy)benzamide
CID 106288562
4-methyl-2-[[[4-(trifluoromethyl)benzoyl]amino]methyl]pentanoic acid
CID 119252785
N-(2-ethyl-2-hydroxybutyl)-4-(trifluoromethyl)benzamide
CID 65112295

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-3-ethylpentyl)-4-(trifluoromethyl)benzamide?
The IUPAC name of N-(2-bromo-3-ethylpentyl)-4-(trifluoromethyl)benzamide (CID 106288527) is N-(2-bromo-3-ethylpentyl)-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(2-bromo-3-ethylpentyl)-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-(2-bromo-3-ethylpentyl)-4-(trifluoromethyl)benzamide is CCC(CC)C(Br)CNC(=O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-(2-bromo-3-ethylpentyl)-4-(trifluoromethyl)benzamide?
The InChIKey is VSFDYHJQPPNAKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrF3NO/c1-3-10(4-2)13(16)9-20-14(21)11-5-7-12(8-6-11)15(17,18)19/h5-8,10,13H,3-4,9H2,1-2H3,(H,20,21).
What are the key properties of N-(2-bromo-3-ethylpentyl)-4-(trifluoromethyl)benzamide?
N-(2-bromo-3-ethylpentyl)-4-(trifluoromethyl)benzamide has a molecular weight of 366.22 g/mol, XLogP of 4.63, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-3-ethylpentyl)-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 106288527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).