N-(2-chlorophenyl)-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide

C10H9ClF3NO2 — CID 22287271

IUPACN-(2-chlorophenyl)-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
SMILESCC(O)(C(=O)Nc1ccccc1Cl)C(F)(F)F
InChIInChI=1S/C10H9ClF3NO2/c1-9(17,10(12,13)14)8(16)15-7-5-3-2-4-6(7)11/h2-5,17H,1H3,(H,15,16)
InChIKeyXJVOPOWBIDUKFI-UHFFFAOYSA-N
MW267.63 g/mol
LogP2.59
Rot. Bonds2

About N-(2-chlorophenyl)-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide

N-(2-chlorophenyl)-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide (PubChem CID 22287271) has the molecular formula C10H9ClF3NO2 and a molecular weight of 267.63 g/mol. Its IUPAC name is N-(2-chlorophenyl)-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
PubChem CID22287271
Molecular FormulaC10H9ClF3NO2
Molecular Weight267.63 g/mol
Exact Mass267.03
IUPAC NameN-(2-chlorophenyl)-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
SMILESCC(O)(C(=O)Nc1ccccc1Cl)C(F)(F)F
InChIInChI=1S/C10H9ClF3NO2/c1-9(17,10(12,13)14)8(16)15-7-5-3-2-4-6(7)11/h2-5,17H,1H3,(H,15,16)
InChIKeyXJVOPOWBIDUKFI-UHFFFAOYSA-N
XLogP2.59
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.63
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-chlorophenyl)-2,2-difluoro-3-oxobutanamide
CID 102107601
N-(4-benzyl-2-chlorophenyl)-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
CID 22287318
(2R)-3,3,3-trifluoro-2-hydroxy-2-methyl-N-(2-phenylphenyl)propanamide
CID 10590975
N-(2-chlorophenyl)-2-methyl-2-(methylamino)propanamide
CID 62835426
N-[4-(benzylamino)-2-chlorophenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
CID 22287342
N-[2-chloro-4-[2-(methanesulfonamido)phenyl]sulfonylphenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
CID 22287296
N-[4-(benzenesulfonamido)-2-chlorophenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
CID 22287185
N-[2-chloro-4-(4-methylphenyl)sulfonylphenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
CID 22621269
N-[2-chloro-4-(2-hydroxyethyl)phenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
CID 174444785
N-tert-butyl-N'-(2-chlorophenyl)-2,2-dimethylpropanediamide
CID 108965988
2,2-dichloro-N-(2-chlorophenyl)-4,4-dimethyl-3-oxopentanamide
CID 3277317
N-(2,3-dichloro-4-sulfanylphenyl)-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
CID 23439412

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide?
The IUPAC name of N-(2-chlorophenyl)-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide (CID 22287271) is N-(2-chlorophenyl)-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide.
What is the SMILES notation for N-(2-chlorophenyl)-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide?
The canonical SMILES for N-(2-chlorophenyl)-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide is CC(O)(C(=O)Nc1ccccc1Cl)C(F)(F)F.
What is the InChIKey of N-(2-chlorophenyl)-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide?
The InChIKey is XJVOPOWBIDUKFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClF3NO2/c1-9(17,10(12,13)14)8(16)15-7-5-3-2-4-6(7)11/h2-5,17H,1H3,(H,15,16).
What are the key properties of N-(2-chlorophenyl)-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide?
N-(2-chlorophenyl)-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide has a molecular weight of 267.63 g/mol, XLogP of 2.59, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide is sourced from PubChem (CID 22287271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).