N-(2-chloro-4,4-dimethylpentyl)-2-(trifluoromethyl)benzamide

C15H19ClF3NO — CID 107156990

IUPACN-(2-chloro-4,4-dimethylpentyl)-2-(trifluoromethyl)benzamide
SMILESCC(C)(C)CC(Cl)CNC(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C15H19ClF3NO/c1-14(2,3)8-10(16)9-20-13(21)11-6-4-5-7-12(11)15(17,18)19/h4-7,10H,8-9H2,1-3H3,(H,20,21)
InChIKeyCDADYRVMSLGAML-UHFFFAOYSA-N
MW321.77 g/mol
LogP4.48
Rot. Bonds4

About N-(2-chloro-4,4-dimethylpentyl)-2-(trifluoromethyl)benzamide

N-(2-chloro-4,4-dimethylpentyl)-2-(trifluoromethyl)benzamide (PubChem CID 107156990) has the molecular formula C15H19ClF3NO and a molecular weight of 321.77 g/mol. Its IUPAC name is N-(2-chloro-4,4-dimethylpentyl)-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(2-chloro-4,4-dimethylpentyl)-2-(trifluoromethyl)benzamide
PubChem CID107156990
Molecular FormulaC15H19ClF3NO
Molecular Weight321.77 g/mol
Exact Mass321.11
IUPAC NameN-(2-chloro-4,4-dimethylpentyl)-2-(trifluoromethyl)benzamide
SMILESCC(C)(C)CC(Cl)CNC(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C15H19ClF3NO/c1-14(2,3)8-10(16)9-20-13(21)11-6-4-5-7-12(11)15(17,18)19/h4-7,10H,8-9H2,1-3H3,(H,20,21)
InChIKeyCDADYRVMSLGAML-UHFFFAOYSA-N
XLogP4.48
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.77
LogP ≤ 54.48
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

N-(2-chloro-4-methylpentyl)-2-(trifluoromethyl)benzamide
CID 107157383
N-(2-chloro-4,4-dimethylpentyl)-2-ethoxybenzamide
CID 107157094
N-(2,3-dihydroxypropyl)-2-(trifluoromethyl)benzamide
CID 66175998
N-(2-chloro-4,4-dimethylpentyl)-3-fluorobenzamide
CID 107156883
N-[(2R)-2-fluoro-2-[2-(trifluoromethyl)phenyl]ethyl]-2-(trifluoromethyl)benzamide
CID 129410835
N-(4-chloropentyl)-2-(trifluoromethyl)benzamide
CID 106129608
N-[2,2-bis(furan-2-yl)ethyl]-2-(trifluoromethyl)benzamide
CID 131701791
N-(2-oxopropyl)-2-(trifluoromethyl)benzamide
CID 64997392
4-methyl-5-[[2-(trifluoromethyl)benzoyl]amino]pentanoic acid
CID 82009837
N-[(2S)-2-cyclopropyl-2-hydroxyethyl]-2-(trifluoromethyl)benzamide
CID 95388210
[(1S)-1-(furan-2-yl)-2-[[2-(trifluoromethyl)benzoyl]amino]ethyl]-dimethylazanium
CID 2449545
2-tert-butyl-N-[(2R)-2-hydroxypropyl]benzamide
CID 83031297

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4,4-dimethylpentyl)-2-(trifluoromethyl)benzamide?
The IUPAC name of N-(2-chloro-4,4-dimethylpentyl)-2-(trifluoromethyl)benzamide (CID 107156990) is N-(2-chloro-4,4-dimethylpentyl)-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(2-chloro-4,4-dimethylpentyl)-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-(2-chloro-4,4-dimethylpentyl)-2-(trifluoromethyl)benzamide is CC(C)(C)CC(Cl)CNC(=O)c1ccccc1C(F)(F)F.
What is the InChIKey of N-(2-chloro-4,4-dimethylpentyl)-2-(trifluoromethyl)benzamide?
The InChIKey is CDADYRVMSLGAML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClF3NO/c1-14(2,3)8-10(16)9-20-13(21)11-6-4-5-7-12(11)15(17,18)19/h4-7,10H,8-9H2,1-3H3,(H,20,21).
What are the key properties of N-(2-chloro-4,4-dimethylpentyl)-2-(trifluoromethyl)benzamide?
N-(2-chloro-4,4-dimethylpentyl)-2-(trifluoromethyl)benzamide has a molecular weight of 321.77 g/mol, XLogP of 4.48, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4,4-dimethylpentyl)-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 107156990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).