N-(2-chloro-4-methylpentyl)-2-(trifluoromethyl)benzamide

C14H17ClF3NO — CID 107157383

IUPACN-(2-chloro-4-methylpentyl)-2-(trifluoromethyl)benzamide
SMILESCC(C)CC(Cl)CNC(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C14H17ClF3NO/c1-9(2)7-10(15)8-19-13(20)11-5-3-4-6-12(11)14(16,17)18/h3-6,9-10H,7-8H2,1-2H3,(H,19,20)
InChIKeyCDPYGQSFGFDQNZ-UHFFFAOYSA-N
MW307.74 g/mol
LogP4.09
Rot. Bonds5

About N-(2-chloro-4-methylpentyl)-2-(trifluoromethyl)benzamide

N-(2-chloro-4-methylpentyl)-2-(trifluoromethyl)benzamide (PubChem CID 107157383) has the molecular formula C14H17ClF3NO and a molecular weight of 307.74 g/mol. Its IUPAC name is N-(2-chloro-4-methylpentyl)-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(2-chloro-4-methylpentyl)-2-(trifluoromethyl)benzamide
PubChem CID107157383
Molecular FormulaC14H17ClF3NO
Molecular Weight307.74 g/mol
Exact Mass307.10
IUPAC NameN-(2-chloro-4-methylpentyl)-2-(trifluoromethyl)benzamide
SMILESCC(C)CC(Cl)CNC(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C14H17ClF3NO/c1-9(2)7-10(15)8-19-13(20)11-5-3-4-6-12(11)14(16,17)18/h3-6,9-10H,7-8H2,1-2H3,(H,19,20)
InChIKeyCDPYGQSFGFDQNZ-UHFFFAOYSA-N
XLogP4.09
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.74
LogP ≤ 54.09
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-4,4-dimethylpentyl)-2-(trifluoromethyl)benzamide
CID 107156990
N-(2-chloro-4-methylpentyl)-2-methylbenzamide
CID 107157210
N-(4-chloropentyl)-2-(trifluoromethyl)benzamide
CID 106129608
4-methyl-5-[[2-(trifluoromethyl)benzoyl]amino]pentanoic acid
CID 82009837
N-(2,3-dihydroxypropyl)-2-(trifluoromethyl)benzamide
CID 66175998
N-[(2R)-2-fluoro-2-[2-(trifluoromethyl)phenyl]ethyl]-2-(trifluoromethyl)benzamide
CID 129410835
N-[2-[(1-amino-4-methylpentan-2-yl)amino]-2-oxoethyl]-2-(trifluoromethyl)benzamide;hydrochloride
CID 119586725
N-(2-oxopropyl)-2-(trifluoromethyl)benzamide
CID 64997392
N-[(2S)-2-cyclopropyl-2-hydroxyethyl]-2-(trifluoromethyl)benzamide
CID 95388210
N'-(3-methylbutanoyl)-2-(trifluoromethyl)benzohydrazide
CID 39951306
N-[2-(2-ethylbutanoylamino)ethyl]-2-(trifluoromethyl)benzamide
CID 108542412
N-(2-amino-2-cyclopropylethyl)-2-(trifluoromethyl)benzamide
CID 63765171

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-methylpentyl)-2-(trifluoromethyl)benzamide?
The IUPAC name of N-(2-chloro-4-methylpentyl)-2-(trifluoromethyl)benzamide (CID 107157383) is N-(2-chloro-4-methylpentyl)-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(2-chloro-4-methylpentyl)-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-(2-chloro-4-methylpentyl)-2-(trifluoromethyl)benzamide is CC(C)CC(Cl)CNC(=O)c1ccccc1C(F)(F)F.
What is the InChIKey of N-(2-chloro-4-methylpentyl)-2-(trifluoromethyl)benzamide?
The InChIKey is CDPYGQSFGFDQNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClF3NO/c1-9(2)7-10(15)8-19-13(20)11-5-3-4-6-12(11)14(16,17)18/h3-6,9-10H,7-8H2,1-2H3,(H,19,20).
What are the key properties of N-(2-chloro-4-methylpentyl)-2-(trifluoromethyl)benzamide?
N-(2-chloro-4-methylpentyl)-2-(trifluoromethyl)benzamide has a molecular weight of 307.74 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-methylpentyl)-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 107157383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).