N-(4-chloro-3-methylbutan-2-yl)-3-(trifluoromethyl)benzamide

C13H15ClF3NO — CID 113484980

IUPACN-(4-chloro-3-methylbutan-2-yl)-3-(trifluoromethyl)benzamide
SMILESCC(CCl)C(C)NC(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H15ClF3NO/c1-8(7-14)9(2)18-12(19)10-4-3-5-11(6-10)13(15,16)17/h3-6,8-9H,7H2,1-2H3,(H,18,19)
InChIKeyJJSWIBXDUZZFDA-UHFFFAOYSA-N
MW293.72 g/mol
LogP3.70
Rot. Bonds4

About N-(4-chloro-3-methylbutan-2-yl)-3-(trifluoromethyl)benzamide

N-(4-chloro-3-methylbutan-2-yl)-3-(trifluoromethyl)benzamide (PubChem CID 113484980) has the molecular formula C13H15ClF3NO and a molecular weight of 293.72 g/mol. Its IUPAC name is N-(4-chloro-3-methylbutan-2-yl)-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(4-chloro-3-methylbutan-2-yl)-3-(trifluoromethyl)benzamide
PubChem CID113484980
Molecular FormulaC13H15ClF3NO
Molecular Weight293.72 g/mol
Exact Mass293.08
IUPAC NameN-(4-chloro-3-methylbutan-2-yl)-3-(trifluoromethyl)benzamide
SMILESCC(CCl)C(C)NC(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H15ClF3NO/c1-8(7-14)9(2)18-12(19)10-4-3-5-11(6-10)13(15,16)17/h3-6,8-9H,7H2,1-2H3,(H,18,19)
InChIKeyJJSWIBXDUZZFDA-UHFFFAOYSA-N
XLogP3.70
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.72
LogP ≤ 53.70
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-methyl-2-[[3-(trifluoromethyl)benzoyl]amino]pentanoic acid
CID 43079375
N-(4-bromobutan-2-yl)-3-(trifluoromethyl)benzamide
CID 83180357
N-(1-amino-3-methylbutan-2-yl)-3-(trifluoromethyl)benzamide
CID 65191332
N-but-3-yn-2-yl-3-(trifluoromethyl)benzamide
CID 114389842
N-(5-bromopentan-2-yl)-3-(trifluoromethyl)benzamide
CID 114316538
N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-3-(trifluoromethyl)benzamide
CID 8750240
2-[[3-(trifluoromethyl)benzoyl]amino]butanoic acid
CID 43387176
N-(2-oxopropyl)-3-(trifluoromethyl)benzamide
CID 64997394
N-[(2S)-4-methylsulfonylbutan-2-yl]-3-(trifluoromethyl)benzamide
CID 70987921
N-[(2S)-4-phenylbutan-2-yl]-3-(trifluoromethyl)benzamide
CID 2521792
N-(1-amino-2,2,2-trichloroethyl)-3-(trifluoromethyl)benzamide
CID 134118431
methyl 3-methyl-2-[[3-(trifluoromethyl)benzoyl]amino]butanoate
CID 43405923

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-methylbutan-2-yl)-3-(trifluoromethyl)benzamide?
The IUPAC name of N-(4-chloro-3-methylbutan-2-yl)-3-(trifluoromethyl)benzamide (CID 113484980) is N-(4-chloro-3-methylbutan-2-yl)-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(4-chloro-3-methylbutan-2-yl)-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-(4-chloro-3-methylbutan-2-yl)-3-(trifluoromethyl)benzamide is CC(CCl)C(C)NC(=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-(4-chloro-3-methylbutan-2-yl)-3-(trifluoromethyl)benzamide?
The InChIKey is JJSWIBXDUZZFDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClF3NO/c1-8(7-14)9(2)18-12(19)10-4-3-5-11(6-10)13(15,16)17/h3-6,8-9H,7H2,1-2H3,(H,18,19).
What are the key properties of N-(4-chloro-3-methylbutan-2-yl)-3-(trifluoromethyl)benzamide?
N-(4-chloro-3-methylbutan-2-yl)-3-(trifluoromethyl)benzamide has a molecular weight of 293.72 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-methylbutan-2-yl)-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 113484980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).