2-chloro-3,3,3-trifluoro-N-(2-methylphenyl)-2-(trifluoromethyl)propanamide

C11H8ClF6NO — CID 71672661

IUPAC2-chloro-3,3,3-trifluoro-N-(2-methylphenyl)-2-(trifluoromethyl)propanamide
SMILESCc1ccccc1NC(=O)C(Cl)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H8ClF6NO/c1-6-4-2-3-5-7(6)19-8(20)9(12,10(13,14)15)11(16,17)18/h2-5H,1H3,(H,19,20)
InChIKeyAEULKPVXHPCVTR-UHFFFAOYSA-N
MW319.63 g/mol
LogP4.04
Rot. Bonds2

About 2-chloro-3,3,3-trifluoro-N-(2-methylphenyl)-2-(trifluoromethyl)propanamide

2-chloro-3,3,3-trifluoro-N-(2-methylphenyl)-2-(trifluoromethyl)propanamide (PubChem CID 71672661) has the molecular formula C11H8ClF6NO and a molecular weight of 319.63 g/mol. Its IUPAC name is 2-chloro-3,3,3-trifluoro-N-(2-methylphenyl)-2-(trifluoromethyl)propanamide.

Molecular Properties

Compound Name2-chloro-3,3,3-trifluoro-N-(2-methylphenyl)-2-(trifluoromethyl)propanamide
PubChem CID71672661
Molecular FormulaC11H8ClF6NO
Molecular Weight319.63 g/mol
Exact Mass319.02
IUPAC Name2-chloro-3,3,3-trifluoro-N-(2-methylphenyl)-2-(trifluoromethyl)propanamide
SMILESCc1ccccc1NC(=O)C(Cl)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H8ClF6NO/c1-6-4-2-3-5-7(6)19-8(20)9(12,10(13,14)15)11(16,17)18/h2-5H,1H3,(H,19,20)
InChIKeyAEULKPVXHPCVTR-UHFFFAOYSA-N
XLogP4.04
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.63
LogP ≤ 54.04
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

2-fluoro-2-methyl-N-(2-methylphenyl)propanamide
CID 130165272
2,2-difluoro-N-(2-methylphenyl)-3-oxobutanamide
CID 102107595
2-cyano-2-methyl-N-(2-methylphenyl)propanamide
CID 60778630
2-fluoro-2-methyl-3-(2-methylanilino)-3-oxopropanoic acid
CID 175308987
(2R)-2,3-dibromo-2-fluoro-N-(2-methylphenyl)propanamide
CID 131850393
2-bromo-2-chloro-N-(2-methylphenyl)butanamide
CID 20511611
2,2-difluoro-3-iodo-N-(2-methylphenyl)propanamide
CID 14154832
N-[2-chloro-5-(trifluoromethyl)phenyl]-2,2-dimethyl-N'-(2-methylphenyl)propanediamide
CID 108967285
N-(2-chlorophenyl)-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
CID 22287271
(2-methylphenyl)urea;phosphane
CID 175888509
N-(2-methylphenyl)-2-oxopropanamide
CID 82125210
2,2-dimethyl-N-(2-methylphenyl)-N'-(2-propan-2-yloxyphenyl)propanediamide
CID 108967269

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3,3,3-trifluoro-N-(2-methylphenyl)-2-(trifluoromethyl)propanamide?
The IUPAC name of 2-chloro-3,3,3-trifluoro-N-(2-methylphenyl)-2-(trifluoromethyl)propanamide (CID 71672661) is 2-chloro-3,3,3-trifluoro-N-(2-methylphenyl)-2-(trifluoromethyl)propanamide.
What is the SMILES notation for 2-chloro-3,3,3-trifluoro-N-(2-methylphenyl)-2-(trifluoromethyl)propanamide?
The canonical SMILES for 2-chloro-3,3,3-trifluoro-N-(2-methylphenyl)-2-(trifluoromethyl)propanamide is Cc1ccccc1NC(=O)C(Cl)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-chloro-3,3,3-trifluoro-N-(2-methylphenyl)-2-(trifluoromethyl)propanamide?
The InChIKey is AEULKPVXHPCVTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClF6NO/c1-6-4-2-3-5-7(6)19-8(20)9(12,10(13,14)15)11(16,17)18/h2-5H,1H3,(H,19,20).
What are the key properties of 2-chloro-3,3,3-trifluoro-N-(2-methylphenyl)-2-(trifluoromethyl)propanamide?
2-chloro-3,3,3-trifluoro-N-(2-methylphenyl)-2-(trifluoromethyl)propanamide has a molecular weight of 319.63 g/mol, XLogP of 4.04, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3,3,3-trifluoro-N-(2-methylphenyl)-2-(trifluoromethyl)propanamide is sourced from PubChem (CID 71672661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).