N-[4-(hydroxymethyl)-2-[3-(trifluoromethyl)phenyl]phenyl]acetamide

C16H14F3NO2 — CID 122476023

IUPACN-[4-(hydroxymethyl)-2-[3-(trifluoromethyl)phenyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CO)cc1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H14F3NO2/c1-10(22)20-15-6-5-11(9-21)7-14(15)12-3-2-4-13(8-12)16(17,18)19/h2-8,21H,9H2,1H3,(H,20,22)
InChIKeyRRZKANVQECOIQI-UHFFFAOYSA-N
MW309.29 g/mol
LogP3.82
Rot. Bonds3

About N-[4-(hydroxymethyl)-2-[3-(trifluoromethyl)phenyl]phenyl]acetamide

N-[4-(hydroxymethyl)-2-[3-(trifluoromethyl)phenyl]phenyl]acetamide (PubChem CID 122476023) has the molecular formula C16H14F3NO2 and a molecular weight of 309.29 g/mol. Its IUPAC name is N-[4-(hydroxymethyl)-2-[3-(trifluoromethyl)phenyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(hydroxymethyl)-2-[3-(trifluoromethyl)phenyl]phenyl]acetamide
PubChem CID122476023
Molecular FormulaC16H14F3NO2
Molecular Weight309.29 g/mol
Exact Mass309.10
IUPAC NameN-[4-(hydroxymethyl)-2-[3-(trifluoromethyl)phenyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CO)cc1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H14F3NO2/c1-10(22)20-15-6-5-11(9-21)7-14(15)12-3-2-4-13(8-12)16(17,18)19/h2-8,21H,9H2,1H3,(H,20,22)
InChIKeyRRZKANVQECOIQI-UHFFFAOYSA-N
XLogP3.82
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.29
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]phenyl]acetamide
CID 162534936
acetic acid;[3-(trifluoromethyl)phenyl]methanol
CID 71340400
3-methyl-N-[4-methyl-2-[3-(trifluoromethyl)phenyl]phenyl]butanamide
CID 67742586
2-[4-hydroxy-3-[3-(trifluoromethyl)phenyl]phenyl]acetic acid
CID 171369386
N-[[4-methyl-3-[3-(trifluoromethyl)phenyl]phenyl]methyl]ethanamine
CID 105408643
6-(hydroxymethyl)-5-[3-(trifluoromethyl)phenyl]-1H-pyridin-2-one
CID 133091897
2-oxo-N-[2-phenyl-4-(trifluoromethyl)phenyl]acetamide
CID 134547020
2-[4-amino-2-[3-(trifluoromethyl)phenyl]anilino]ethanol
CID 18371433
N-[2-amino-4-(trifluoromethyl)phenyl]acetamide
CID 2779452
N-[2-(2-methylpropanoyl)-5-[3-(trifluoromethyl)phenyl]-3-pyridinyl]acetamide
CID 177119035
N-[2-(3,3-dimethyl-2-phenylcyclobuten-1-yl)-4-(trifluoromethyl)phenyl]acetamide
CID 166063893
[3-[3-(trifluoromethyl)phenyl]-2-pyridinyl]methanol
CID 134621668

Frequently Asked Questions

What is the IUPAC name of N-[4-(hydroxymethyl)-2-[3-(trifluoromethyl)phenyl]phenyl]acetamide?
The IUPAC name of N-[4-(hydroxymethyl)-2-[3-(trifluoromethyl)phenyl]phenyl]acetamide (CID 122476023) is N-[4-(hydroxymethyl)-2-[3-(trifluoromethyl)phenyl]phenyl]acetamide.
What is the SMILES notation for N-[4-(hydroxymethyl)-2-[3-(trifluoromethyl)phenyl]phenyl]acetamide?
The canonical SMILES for N-[4-(hydroxymethyl)-2-[3-(trifluoromethyl)phenyl]phenyl]acetamide is CC(=O)Nc1ccc(CO)cc1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[4-(hydroxymethyl)-2-[3-(trifluoromethyl)phenyl]phenyl]acetamide?
The InChIKey is RRZKANVQECOIQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3NO2/c1-10(22)20-15-6-5-11(9-21)7-14(15)12-3-2-4-13(8-12)16(17,18)19/h2-8,21H,9H2,1H3,(H,20,22).
What are the key properties of N-[4-(hydroxymethyl)-2-[3-(trifluoromethyl)phenyl]phenyl]acetamide?
N-[4-(hydroxymethyl)-2-[3-(trifluoromethyl)phenyl]phenyl]acetamide has a molecular weight of 309.29 g/mol, XLogP of 3.82, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(hydroxymethyl)-2-[3-(trifluoromethyl)phenyl]phenyl]acetamide is sourced from PubChem (CID 122476023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).