2-(4-chloro-3-fluorophenyl)-3,3,3-trifluoro-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-hydroxypropanamide

C17H10ClF8NO2 — CID 58960044

IUPAC2-(4-chloro-3-fluorophenyl)-3,3,3-trifluoro-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-hydroxypropanamide
SMILESO=C(NCc1cc(C(F)(F)F)ccc1F)C(O)(c1ccc(Cl)c(F)c1)C(F)(F)F
InChIInChI=1S/C17H10ClF8NO2/c18-11-3-1-9(6-13(11)20)15(29,17(24,25)26)14(28)27-7-8-5-10(16(21,22)23)2-4-12(8)19/h1-6,29H,7H2,(H,27,28)
InChIKeyHNNCNBYDSNFDDX-UHFFFAOYSA-N
MW447.71 g/mol
LogP4.70
Rot. Bonds4

About 2-(4-chloro-3-fluorophenyl)-3,3,3-trifluoro-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-hydroxypropanamide

2-(4-chloro-3-fluorophenyl)-3,3,3-trifluoro-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-hydroxypropanamide (PubChem CID 58960044) has the molecular formula C17H10ClF8NO2 and a molecular weight of 447.71 g/mol. Its IUPAC name is 2-(4-chloro-3-fluorophenyl)-3,3,3-trifluoro-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-hydroxypropanamide.

Molecular Properties

Compound Name2-(4-chloro-3-fluorophenyl)-3,3,3-trifluoro-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-hydroxypropanamide
PubChem CID58960044
Molecular FormulaC17H10ClF8NO2
Molecular Weight447.71 g/mol
Exact Mass447.03
IUPAC Name2-(4-chloro-3-fluorophenyl)-3,3,3-trifluoro-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-hydroxypropanamide
SMILESO=C(NCc1cc(C(F)(F)F)ccc1F)C(O)(c1ccc(Cl)c(F)c1)C(F)(F)F
InChIInChI=1S/C17H10ClF8NO2/c18-11-3-1-9(6-13(11)20)15(29,17(24,25)26)14(28)27-7-8-5-10(16(21,22)23)2-4-12(8)19/h1-6,29H,7H2,(H,27,28)
InChIKeyHNNCNBYDSNFDDX-UHFFFAOYSA-N
XLogP4.70
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.71
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(4-chloro-3-fluorophenyl)-3,3,3-trifluoro-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-hydroxypropanamide with MolForge

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Related Compounds

(2R)-N-[(5-bromo-2-fluorophenyl)methyl]-3,3,3-trifluoro-2-hydroxy-2-phenylpropanamide
CID 58960075
(2S)-N-[[3-bromo-2-fluoro-5-(trifluoromethyl)phenyl]methyl]-3,3,3-trifluoro-2-hydroxy-2-phenylpropanamide
CID 87848402
1-cyclobutyl-3-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]urea
CID 119070514
1-butyl-3-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]urea
CID 3468600
N-[(2-chlorophenyl)methyl]-2-(4-ethylphenyl)-3,3,3-trifluoro-2-hydroxypropanamide
CID 141336561
N-fluoro-1-[2-fluoro-5-(trifluoromethyl)phenyl]methanamine
CID 143092544
N'-[2-chloro-5-(trifluoromethyl)phenyl]-N-[(2-fluorophenyl)methyl]oxamide
CID 108984915
2-chloro-N-[(2,5-difluorophenyl)methyl]-5-(trifluoromethyl)aniline
CID 43312527
1-(2,6-dichloro-4-pyridinyl)-3-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]urea
CID 3692964
4-[[2-fluoro-5-(trifluoromethyl)phenyl]methylamino]cyclohexane-1-carboxylic acid
CID 120509624
N-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]thiohydroxylamine
CID 148766758
3,3,3-trifluoro-2-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-hydroxypropanamide
CID 154217889

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-fluorophenyl)-3,3,3-trifluoro-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-hydroxypropanamide?
The IUPAC name of 2-(4-chloro-3-fluorophenyl)-3,3,3-trifluoro-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-hydroxypropanamide (CID 58960044) is 2-(4-chloro-3-fluorophenyl)-3,3,3-trifluoro-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-hydroxypropanamide.
What is the SMILES notation for 2-(4-chloro-3-fluorophenyl)-3,3,3-trifluoro-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-hydroxypropanamide?
The canonical SMILES for 2-(4-chloro-3-fluorophenyl)-3,3,3-trifluoro-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-hydroxypropanamide is O=C(NCc1cc(C(F)(F)F)ccc1F)C(O)(c1ccc(Cl)c(F)c1)C(F)(F)F.
What is the InChIKey of 2-(4-chloro-3-fluorophenyl)-3,3,3-trifluoro-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-hydroxypropanamide?
The InChIKey is HNNCNBYDSNFDDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10ClF8NO2/c18-11-3-1-9(6-13(11)20)15(29,17(24,25)26)14(28)27-7-8-5-10(16(21,22)23)2-4-12(8)19/h1-6,29H,7H2,(H,27,28).
What are the key properties of 2-(4-chloro-3-fluorophenyl)-3,3,3-trifluoro-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-hydroxypropanamide?
2-(4-chloro-3-fluorophenyl)-3,3,3-trifluoro-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-hydroxypropanamide has a molecular weight of 447.71 g/mol, XLogP of 4.70, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-fluorophenyl)-3,3,3-trifluoro-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-hydroxypropanamide is sourced from PubChem (CID 58960044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).