N-[2-(3-fluorophenyl)-2-hydroxyethyl]-2-(2,4,5-trifluorophenyl)acetamide

C16H13F4NO2 — CID 167863503

IUPACN-[2-(3-fluorophenyl)-2-hydroxyethyl]-2-(2,4,5-trifluorophenyl)acetamide
SMILESO=C(Cc1cc(F)c(F)cc1F)NCC(O)c1cccc(F)c1
InChIInChI=1S/C16H13F4NO2/c17-11-3-1-2-9(4-11)15(22)8-21-16(23)6-10-5-13(19)14(20)7-12(10)18/h1-5,7,15,22H,6,8H2,(H,21,23)
InChIKeyCBHYHXVSBVTPGD-UHFFFAOYSA-N
MW327.28 g/mol
LogP2.64
Rot. Bonds5

About N-[2-(3-fluorophenyl)-2-hydroxyethyl]-2-(2,4,5-trifluorophenyl)acetamide

N-[2-(3-fluorophenyl)-2-hydroxyethyl]-2-(2,4,5-trifluorophenyl)acetamide (PubChem CID 167863503) has the molecular formula C16H13F4NO2 and a molecular weight of 327.28 g/mol. Its IUPAC name is N-[2-(3-fluorophenyl)-2-hydroxyethyl]-2-(2,4,5-trifluorophenyl)acetamide.

Molecular Properties

Compound NameN-[2-(3-fluorophenyl)-2-hydroxyethyl]-2-(2,4,5-trifluorophenyl)acetamide
PubChem CID167863503
Molecular FormulaC16H13F4NO2
Molecular Weight327.28 g/mol
Exact Mass327.09
IUPAC NameN-[2-(3-fluorophenyl)-2-hydroxyethyl]-2-(2,4,5-trifluorophenyl)acetamide
SMILESO=C(Cc1cc(F)c(F)cc1F)NCC(O)c1cccc(F)c1
InChIInChI=1S/C16H13F4NO2/c17-11-3-1-2-9(4-11)15(22)8-21-16(23)6-10-5-13(19)14(20)7-12(10)18/h1-5,7,15,22H,6,8H2,(H,21,23)
InChIKeyCBHYHXVSBVTPGD-UHFFFAOYSA-N
XLogP2.64
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.28
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-[2-(3-fluorophenyl)-2-hydroxyethyl]-2-(2-methylphenyl)acetamide
CID 51094283
N-[2-(3-fluorophenyl)-2-hydroxyethyl]-2-(methylamino)acetamide
CID 119755074
(2S)-2-amino-N-[2-(3-fluorophenyl)-2-hydroxyethyl]propanamide
CID 119306982
2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-[2-(3-fluorophenyl)-2-hydroxyethyl]acetamide
CID 139002909
1-[(1S)-1-(3,4-difluorophenyl)ethyl]-3-[(2S)-2-(3-fluorophenyl)-2-hydroxyethyl]urea
CID 95587097
1-phenyl-2-[(2,4,5-trifluorophenyl)methylamino]ethanol
CID 103792326
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-(2-fluorophenyl)acetamide
CID 46419114
2-(2-chloro-6-fluorophenyl)-N-(2-hydroxy-2-phenylethyl)acetamide
CID 43391266
N-[(2S)-2-(3-fluorophenyl)-2-hydroxyethyl]-2-(2-phenoxyethoxy)acetamide
CID 94806016
N-[2-(3,4-difluorophenyl)-2-hydroxyethyl]-2-(2-methoxyphenyl)acetamide
CID 55652673
N'-(3-fluoro-4-methylphenyl)-N-[2-(3-fluorophenyl)-2-hydroxyethyl]oxamide
CID 167915427
1-[2-(3-fluorophenyl)-2-hydroxyethyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 51102231

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluorophenyl)-2-hydroxyethyl]-2-(2,4,5-trifluorophenyl)acetamide?
The IUPAC name of N-[2-(3-fluorophenyl)-2-hydroxyethyl]-2-(2,4,5-trifluorophenyl)acetamide (CID 167863503) is N-[2-(3-fluorophenyl)-2-hydroxyethyl]-2-(2,4,5-trifluorophenyl)acetamide.
What is the SMILES notation for N-[2-(3-fluorophenyl)-2-hydroxyethyl]-2-(2,4,5-trifluorophenyl)acetamide?
The canonical SMILES for N-[2-(3-fluorophenyl)-2-hydroxyethyl]-2-(2,4,5-trifluorophenyl)acetamide is O=C(Cc1cc(F)c(F)cc1F)NCC(O)c1cccc(F)c1.
What is the InChIKey of N-[2-(3-fluorophenyl)-2-hydroxyethyl]-2-(2,4,5-trifluorophenyl)acetamide?
The InChIKey is CBHYHXVSBVTPGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F4NO2/c17-11-3-1-2-9(4-11)15(22)8-21-16(23)6-10-5-13(19)14(20)7-12(10)18/h1-5,7,15,22H,6,8H2,(H,21,23).
What are the key properties of N-[2-(3-fluorophenyl)-2-hydroxyethyl]-2-(2,4,5-trifluorophenyl)acetamide?
N-[2-(3-fluorophenyl)-2-hydroxyethyl]-2-(2,4,5-trifluorophenyl)acetamide has a molecular weight of 327.28 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluorophenyl)-2-hydroxyethyl]-2-(2,4,5-trifluorophenyl)acetamide is sourced from PubChem (CID 167863503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).