N-[2-[2-(hydroxymethyl)phenyl]ethyl]-4-(trifluoromethyl)benzamide

C17H16F3NO2 — CID 20533940

IUPACN-[2-[2-(hydroxymethyl)phenyl]ethyl]-4-(trifluoromethyl)benzamide
SMILESO=C(NCCc1ccccc1CO)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H16F3NO2/c18-17(19,20)15-7-5-13(6-8-15)16(23)21-10-9-12-3-1-2-4-14(12)11-22/h1-8,22H,9-11H2,(H,21,23)
InChIKeyBYYLRXIQHXIISZ-UHFFFAOYSA-N
MW323.31 g/mol
LogP3.17
Rot. Bonds5

About N-[2-[2-(hydroxymethyl)phenyl]ethyl]-4-(trifluoromethyl)benzamide

N-[2-[2-(hydroxymethyl)phenyl]ethyl]-4-(trifluoromethyl)benzamide (PubChem CID 20533940) has the molecular formula C17H16F3NO2 and a molecular weight of 323.31 g/mol. Its IUPAC name is N-[2-[2-(hydroxymethyl)phenyl]ethyl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-[2-(hydroxymethyl)phenyl]ethyl]-4-(trifluoromethyl)benzamide
PubChem CID20533940
Molecular FormulaC17H16F3NO2
Molecular Weight323.31 g/mol
Exact Mass323.11
IUPAC NameN-[2-[2-(hydroxymethyl)phenyl]ethyl]-4-(trifluoromethyl)benzamide
SMILESO=C(NCCc1ccccc1CO)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H16F3NO2/c18-17(19,20)15-7-5-13(6-8-15)16(23)21-10-9-12-3-1-2-4-14(12)11-22/h1-8,22H,9-11H2,(H,21,23)
InChIKeyBYYLRXIQHXIISZ-UHFFFAOYSA-N
XLogP3.17
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.31
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-phenylethyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 58853713
N-[2-(1H-pyrrol-3-yl)ethyl]-4-(trifluoromethyl)benzamide
CID 110789374
N-[2-[(2,2-diphenylacetyl)amino]ethyl]-4-(trifluoromethyl)benzamide
CID 55546186
N-[2-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-(trifluoromethyl)benzamide
CID 110323445
[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 4-(trifluoromethyl)benzoate
CID 9009523
N-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]-4-(trifluoromethyl)benzamide
CID 112993932
N-[2-(4-methoxyphenyl)ethyl]-4-(trifluoromethyl)benzamide
CID 2162417
N-[2-[[2-[(2-phenylacetyl)amino]acetyl]amino]ethyl]-4-(trifluoromethyl)benzamide
CID 55546139
4-(methoxymethyl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide
CID 30843162
N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]-4-(trifluoromethyl)benzamide
CID 108537709
[difluoro-[4-(2-phenylethylcarbamoyl)phenyl]methyl]phosphonic acid
CID 46878793
4-(benzenesulfonamido)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide
CID 31147171

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(hydroxymethyl)phenyl]ethyl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[2-[2-(hydroxymethyl)phenyl]ethyl]-4-(trifluoromethyl)benzamide (CID 20533940) is N-[2-[2-(hydroxymethyl)phenyl]ethyl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-[2-(hydroxymethyl)phenyl]ethyl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-[2-(hydroxymethyl)phenyl]ethyl]-4-(trifluoromethyl)benzamide is O=C(NCCc1ccccc1CO)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[2-[2-(hydroxymethyl)phenyl]ethyl]-4-(trifluoromethyl)benzamide?
The InChIKey is BYYLRXIQHXIISZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3NO2/c18-17(19,20)15-7-5-13(6-8-15)16(23)21-10-9-12-3-1-2-4-14(12)11-22/h1-8,22H,9-11H2,(H,21,23).
What are the key properties of N-[2-[2-(hydroxymethyl)phenyl]ethyl]-4-(trifluoromethyl)benzamide?
N-[2-[2-(hydroxymethyl)phenyl]ethyl]-4-(trifluoromethyl)benzamide has a molecular weight of 323.31 g/mol, XLogP of 3.17, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(hydroxymethyl)phenyl]ethyl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 20533940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).