(2R)-N-(4-benzoyl-2-chlorophenyl)-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide

C17H13ClF3NO3 — CID 10547225

IUPAC(2R)-N-(4-benzoyl-2-chlorophenyl)-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
SMILESC[C@@](O)(C(=O)Nc1ccc(C(=O)c2ccccc2)cc1Cl)C(F)(F)F
InChIInChI=1S/C17H13ClF3NO3/c1-16(25,17(19,20)21)15(24)22-13-8-7-11(9-12(13)18)14(23)10-5-3-2-4-6-10/h2-9,25H,1H3,(H,22,24)/t16-/m1/s1
InChIKeyFSMLYTJJLFECDK-MRXNPFEDSA-N
MW371.74 g/mol
LogP3.82
Rot. Bonds4

About (2R)-N-(4-benzoyl-2-chlorophenyl)-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide

(2R)-N-(4-benzoyl-2-chlorophenyl)-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide (PubChem CID 10547225) has the molecular formula C17H13ClF3NO3 and a molecular weight of 371.74 g/mol. Its IUPAC name is (2R)-N-(4-benzoyl-2-chlorophenyl)-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide.

Molecular Properties

Compound Name(2R)-N-(4-benzoyl-2-chlorophenyl)-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
PubChem CID10547225
Molecular FormulaC17H13ClF3NO3
Molecular Weight371.74 g/mol
Exact Mass371.05
IUPAC Name(2R)-N-(4-benzoyl-2-chlorophenyl)-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
SMILESC[C@@](O)(C(=O)Nc1ccc(C(=O)c2ccccc2)cc1Cl)C(F)(F)F
InChIInChI=1S/C17H13ClF3NO3/c1-16(25,17(19,20)21)15(24)22-13-8-7-11(9-12(13)18)14(23)10-5-3-2-4-6-10/h2-9,25H,1H3,(H,22,24)/t16-/m1/s1
InChIKeyFSMLYTJJLFECDK-MRXNPFEDSA-N
XLogP3.82
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.74
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ZD-6169
CID 177852
N-(4-Benzoyl-2-chlorophenyl)-2-hydroxy-2-methyl-3,3,3-trifluoropropionamide
CID 9799587
(R)-N-[2-Chloro-4-(piperidinocarbonyl)phenyl]-2-methyl-2-hydroxy-3,3,3-trifluoropropionamide
CID 10643403
N-(4-benzoylphenyl)-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
CID 21183546
N-[2-chloro-4-(piperidine-1-carbonyl)phenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
CID 22287151
3-chloro-4-[(2-methyl-3-oxocyclopenten-1-yl)amino]-N-(2-methylphenyl)benzamide
CID 117928476
N-[2-chloro-5-(trifluoromethyl)phenyl]-4-(pentanoylamino)benzamide
CID 2210858
N-[2-chloro-5-(trifluoromethyl)phenyl]-4-[(trifluoroacetyl)amino]benzamide
CID 3902078
(2R)-N-[2-chloro-4-(morpholine-4-carbonyl)phenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
CID 10500024
3-chloro-N-(3-hydroxypropyl)-4-[[(2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl]amino]benzamide
CID 10523081
(2S)-2-[[3-chloro-4-[[(2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl]amino]benzoyl]amino]-4-phenylbutanoic acid
CID 10743090
3-chloro-N-(3-hydroxypropyl)-N-methyl-4-[[(2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl]amino]benzamide
CID 10809954

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-benzoyl-2-chlorophenyl)-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide?
The IUPAC name of (2R)-N-(4-benzoyl-2-chlorophenyl)-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide (CID 10547225) is (2R)-N-(4-benzoyl-2-chlorophenyl)-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide.
What is the SMILES notation for (2R)-N-(4-benzoyl-2-chlorophenyl)-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide?
The canonical SMILES for (2R)-N-(4-benzoyl-2-chlorophenyl)-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide is C[C@@](O)(C(=O)Nc1ccc(C(=O)c2ccccc2)cc1Cl)C(F)(F)F.
What is the InChIKey of (2R)-N-(4-benzoyl-2-chlorophenyl)-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide?
The InChIKey is FSMLYTJJLFECDK-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H13ClF3NO3/c1-16(25,17(19,20)21)15(24)22-13-8-7-11(9-12(13)18)14(23)10-5-3-2-4-6-10/h2-9,25H,1H3,(H,22,24)/t16-/m1/s1.
What are the key properties of (2R)-N-(4-benzoyl-2-chlorophenyl)-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide?
(2R)-N-(4-benzoyl-2-chlorophenyl)-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide has a molecular weight of 371.74 g/mol, XLogP of 3.82, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-benzoyl-2-chlorophenyl)-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide is sourced from PubChem (CID 10547225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).