(2S)-3-(4-fluorophenoxy)-2-hydroxy-N-[4-iodo-3-(trifluoromethyl)phenyl]propanamide

C16H12F4INO3 — CID 142885780

IUPAC(2S)-3-(4-fluorophenoxy)-2-hydroxy-N-[4-iodo-3-(trifluoromethyl)phenyl]propanamide
SMILESO=C(Nc1ccc(I)c(C(F)(F)F)c1)[C@@H](O)COc1ccc(F)cc1
InChIInChI=1S/C16H12F4INO3/c17-9-1-4-11(5-2-9)25-8-14(23)15(24)22-10-3-6-13(21)12(7-10)16(18,19)20/h1-7,14,23H,8H2,(H,22,24)/t14-/m0/s1
InChIKeyQJFFEVTZRXMDDU-AWEZNQCLSA-N
MW469.17 g/mol
LogP3.83
Rot. Bonds5

About (2S)-3-(4-fluorophenoxy)-2-hydroxy-N-[4-iodo-3-(trifluoromethyl)phenyl]propanamide

(2S)-3-(4-fluorophenoxy)-2-hydroxy-N-[4-iodo-3-(trifluoromethyl)phenyl]propanamide (PubChem CID 142885780) has the molecular formula C16H12F4INO3 and a molecular weight of 469.17 g/mol. Its IUPAC name is (2S)-3-(4-fluorophenoxy)-2-hydroxy-N-[4-iodo-3-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name(2S)-3-(4-fluorophenoxy)-2-hydroxy-N-[4-iodo-3-(trifluoromethyl)phenyl]propanamide
PubChem CID142885780
Molecular FormulaC16H12F4INO3
Molecular Weight469.17 g/mol
Exact Mass468.98
IUPAC Name(2S)-3-(4-fluorophenoxy)-2-hydroxy-N-[4-iodo-3-(trifluoromethyl)phenyl]propanamide
SMILESO=C(Nc1ccc(I)c(C(F)(F)F)c1)[C@@H](O)COc1ccc(F)cc1
InChIInChI=1S/C16H12F4INO3/c17-9-1-4-11(5-2-9)25-8-14(23)15(24)22-10-3-6-13(21)12(7-10)16(18,19)20/h1-7,14,23H,8H2,(H,22,24)/t14-/m0/s1
InChIKeyQJFFEVTZRXMDDU-AWEZNQCLSA-N
XLogP3.83
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.17
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

(2S)-N-[4-bromo-3-(trifluoromethyl)phenyl]-3-(4-fluorophenoxy)-2-hydroxypropanamide
CID 142885767
(2S)-N-[4-bromo-3-(trifluoromethyl)phenyl]-2-hydroxy-3-(4-methylphenoxy)propanamide
CID 142885782
(2S)-2-hydroxy-N-[4-nitro-3-(trifluoromethyl)phenyl]-3-(4-propanoylphenoxy)propanamide
CID 142117354
N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-fluorophenoxy)-2-oxopropanamide
CID 143610755
N-[4-iodo-3-(trifluoromethyl)phenyl]cyclopropanecarboxamide
CID 163584041
(2S)-3-(4-fluorophenoxy)-2-hydroxy-2-methyl-N-[4-nitroso-3-(trifluoromethyl)phenyl]propanamide
CID 142885807
N-[4-(4-fluorophenoxy)-3-(trifluoromethyl)phenyl]-2,2-diphenylacetamide
CID 3963385
(2S)-3-(4-fluorophenoxy)-2-hydroxy-N-(4-iodo-3-methylphenyl)-2-methylpropanamide
CID 58619244
(2S)-3-bromo-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxypropanamide
CID 130368990
3-chloro-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxypropanamide
CID 69121812
N-[4-[(2S)-2-(4-fluorophenyl)-2-hydroxyethoxy]phenyl]acetamide
CID 34529749
2-[(4-fluorophenoxy)methyl]-3-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide
CID 143142158

Frequently Asked Questions

What is the IUPAC name of (2S)-3-(4-fluorophenoxy)-2-hydroxy-N-[4-iodo-3-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of (2S)-3-(4-fluorophenoxy)-2-hydroxy-N-[4-iodo-3-(trifluoromethyl)phenyl]propanamide (CID 142885780) is (2S)-3-(4-fluorophenoxy)-2-hydroxy-N-[4-iodo-3-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for (2S)-3-(4-fluorophenoxy)-2-hydroxy-N-[4-iodo-3-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for (2S)-3-(4-fluorophenoxy)-2-hydroxy-N-[4-iodo-3-(trifluoromethyl)phenyl]propanamide is O=C(Nc1ccc(I)c(C(F)(F)F)c1)[C@@H](O)COc1ccc(F)cc1.
What is the InChIKey of (2S)-3-(4-fluorophenoxy)-2-hydroxy-N-[4-iodo-3-(trifluoromethyl)phenyl]propanamide?
The InChIKey is QJFFEVTZRXMDDU-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H12F4INO3/c17-9-1-4-11(5-2-9)25-8-14(23)15(24)22-10-3-6-13(21)12(7-10)16(18,19)20/h1-7,14,23H,8H2,(H,22,24)/t14-/m0/s1.
What are the key properties of (2S)-3-(4-fluorophenoxy)-2-hydroxy-N-[4-iodo-3-(trifluoromethyl)phenyl]propanamide?
(2S)-3-(4-fluorophenoxy)-2-hydroxy-N-[4-iodo-3-(trifluoromethyl)phenyl]propanamide has a molecular weight of 469.17 g/mol, XLogP of 3.83, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(4-fluorophenoxy)-2-hydroxy-N-[4-iodo-3-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 142885780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).