2-(4-chlorophenoxy)-N-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-2-methylpropanamide

C19H19ClF3NO3 — CID 60591637

IUPAC2-(4-chlorophenoxy)-N-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-2-methylpropanamide
SMILESCC(C)(Oc1ccc(Cl)cc1)C(=O)NCC(O)c1ccccc1C(F)(F)F
InChIInChI=1S/C19H19ClF3NO3/c1-18(2,27-13-9-7-12(20)8-10-13)17(26)24-11-16(25)14-5-3-4-6-15(14)19(21,22)23/h3-10,16,25H,11H2,1-2H3,(H,24,26)
InChIKeyCUFCWNOMBVGZKD-UHFFFAOYSA-N
MW401.81 g/mol
LogP4.37
Rot. Bonds6

About 2-(4-chlorophenoxy)-N-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-2-methylpropanamide

2-(4-chlorophenoxy)-N-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-2-methylpropanamide (PubChem CID 60591637) has the molecular formula C19H19ClF3NO3 and a molecular weight of 401.81 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-2-methylpropanamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-2-methylpropanamide
PubChem CID60591637
Molecular FormulaC19H19ClF3NO3
Molecular Weight401.81 g/mol
Exact Mass401.10
IUPAC Name2-(4-chlorophenoxy)-N-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-2-methylpropanamide
SMILESCC(C)(Oc1ccc(Cl)cc1)C(=O)NCC(O)c1ccccc1C(F)(F)F
InChIInChI=1S/C19H19ClF3NO3/c1-18(2,27-13-9-7-12(20)8-10-13)17(26)24-11-16(25)14-5-3-4-6-15(14)19(21,22)23/h3-10,16,25H,11H2,1-2H3,(H,24,26)
InChIKeyCUFCWNOMBVGZKD-UHFFFAOYSA-N
XLogP4.37
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.81
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenoxy)-2-methyl-N-[2-(trifluoromethyl)phenyl]propanamide
CID 5085201
2-(4-chlorophenoxy)-N-[(2S)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-2-methylpropanamide
CID 97416886
2-(4-chlorophenoxy)-N-(3-hydroxy-3-naphthalen-1-ylpropyl)-2-methylpropanamide
CID 90524457
N-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-4-methoxybenzamide
CID 94816564
3,5-dichloro-N-[(2S)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]benzamide
CID 52769347
4-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]-3-methylbutanoic acid
CID 81063126
2-(4-chlorophenoxy)-N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]-2-methylpropanamide
CID 71803461
N-[(2S)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-2-phenoxyacetamide
CID 94810445
2-(4-chlorophenoxy)-N-[3-(4-chlorophenyl)-2-(3,5-difluorophenyl)butyl]-2-methylpropanamide
CID 69145412
N-[2-(1-benzofuran-2-yl)-2-methoxyethyl]-2-(4-chlorophenoxy)-2-methylpropanamide
CID 121021275
N-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-4-methylpentanamide
CID 60591572
2-(4-chlorophenoxy)-N-[(4-chlorophenyl)methyl]-2-methylpropanamide
CID 2597715

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-2-methylpropanamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-2-methylpropanamide (CID 60591637) is 2-(4-chlorophenoxy)-N-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-2-methylpropanamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-2-methylpropanamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-2-methylpropanamide is CC(C)(Oc1ccc(Cl)cc1)C(=O)NCC(O)c1ccccc1C(F)(F)F.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-2-methylpropanamide?
The InChIKey is CUFCWNOMBVGZKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClF3NO3/c1-18(2,27-13-9-7-12(20)8-10-13)17(26)24-11-16(25)14-5-3-4-6-15(14)19(21,22)23/h3-10,16,25H,11H2,1-2H3,(H,24,26).
What are the key properties of 2-(4-chlorophenoxy)-N-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-2-methylpropanamide?
2-(4-chlorophenoxy)-N-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-2-methylpropanamide has a molecular weight of 401.81 g/mol, XLogP of 4.37, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-2-methylpropanamide is sourced from PubChem (CID 60591637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).