3,5-dichloro-N-[(2S)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]benzamide

C16H12Cl2F3NO2 — CID 52769347

IUPAC3,5-dichloro-N-[(2S)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]benzamide
SMILESO=C(NC[C@@H](O)c1ccccc1C(F)(F)F)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C16H12Cl2F3NO2/c17-10-5-9(6-11(18)7-10)15(24)22-8-14(23)12-3-1-2-4-13(12)16(19,20)21/h1-7,14,23H,8H2,(H,22,24)/t14-/m1/s1
InChIKeyGBFPCTNWXNKOOX-CQSZACIVSA-N
MW378.18 g/mol
LogP4.48
Rot. Bonds4

About 3,5-dichloro-N-[(2S)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]benzamide

3,5-dichloro-N-[(2S)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]benzamide (PubChem CID 52769347) has the molecular formula C16H12Cl2F3NO2 and a molecular weight of 378.18 g/mol. Its IUPAC name is 3,5-dichloro-N-[(2S)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]benzamide.

Molecular Properties

Compound Name3,5-dichloro-N-[(2S)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]benzamide
PubChem CID52769347
Molecular FormulaC16H12Cl2F3NO2
Molecular Weight378.18 g/mol
Exact Mass377.02
IUPAC Name3,5-dichloro-N-[(2S)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]benzamide
SMILESO=C(NC[C@@H](O)c1ccccc1C(F)(F)F)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C16H12Cl2F3NO2/c17-10-5-9(6-11(18)7-10)15(24)22-8-14(23)12-3-1-2-4-13(12)16(19,20)21/h1-7,14,23H,8H2,(H,22,24)/t14-/m1/s1
InChIKeyGBFPCTNWXNKOOX-CQSZACIVSA-N
XLogP4.48
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.18
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]pyridine-4-carboxamide
CID 51094257
N-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-4-methoxybenzamide
CID 94816564
2,4-difluoro-N-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]benzamide
CID 94800676
4-[4-[[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]carbamoyl]phenoxy]benzamide
CID 56565950
3-chloro-N-[2-(2-fluorophenyl)-2-hydroxyethyl]benzamide
CID 111566265
N-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-1-oxidopyridin-1-ium-2-carboxamide
CID 75364314
N-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-3-methylthiophene-2-carboxamide
CID 51094275
N-[(2S)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 95618106
N-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide
CID 97123742
2-(4-chlorophenoxy)-N-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-2-methylpropanamide
CID 60591637
N-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide
CID 70731485
N-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-4-methylpentanamide
CID 60591572

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-[(2S)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]benzamide?
The IUPAC name of 3,5-dichloro-N-[(2S)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]benzamide (CID 52769347) is 3,5-dichloro-N-[(2S)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]benzamide.
What is the SMILES notation for 3,5-dichloro-N-[(2S)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]benzamide?
The canonical SMILES for 3,5-dichloro-N-[(2S)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]benzamide is O=C(NC[C@@H](O)c1ccccc1C(F)(F)F)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 3,5-dichloro-N-[(2S)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]benzamide?
The InChIKey is GBFPCTNWXNKOOX-CQSZACIVSA-N. The full InChI is InChI=1S/C16H12Cl2F3NO2/c17-10-5-9(6-11(18)7-10)15(24)22-8-14(23)12-3-1-2-4-13(12)16(19,20)21/h1-7,14,23H,8H2,(H,22,24)/t14-/m1/s1.
What are the key properties of 3,5-dichloro-N-[(2S)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]benzamide?
3,5-dichloro-N-[(2S)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]benzamide has a molecular weight of 378.18 g/mol, XLogP of 4.48, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-[(2S)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]benzamide is sourced from PubChem (CID 52769347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).