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

C13H16F3NO2 — CID 82350242

IUPACN-[2-(hydroxymethyl)-3-[4-(trifluoromethyl)phenyl]propyl]acetamide
SMILESCC(=O)NCC(CO)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H16F3NO2/c1-9(19)17-7-11(8-18)6-10-2-4-12(5-3-10)13(14,15)16/h2-5,11,18H,6-8H2,1H3,(H,17,19)
InChIKeyHCPKTCKXXPUTGZ-UHFFFAOYSA-N
MW275.27 g/mol
LogP1.99
Rot. Bonds5

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

N-[2-(hydroxymethyl)-3-[4-(trifluoromethyl)phenyl]propyl]acetamide (PubChem CID 82350242) has the molecular formula C13H16F3NO2 and a molecular weight of 275.27 g/mol. Its IUPAC name is N-[2-(hydroxymethyl)-3-[4-(trifluoromethyl)phenyl]propyl]acetamide.

Molecular Properties

Compound NameN-[2-(hydroxymethyl)-3-[4-(trifluoromethyl)phenyl]propyl]acetamide
PubChem CID82350242
Molecular FormulaC13H16F3NO2
Molecular Weight275.27 g/mol
Exact Mass275.11
IUPAC NameN-[2-(hydroxymethyl)-3-[4-(trifluoromethyl)phenyl]propyl]acetamide
SMILESCC(=O)NCC(CO)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H16F3NO2/c1-9(19)17-7-11(8-18)6-10-2-4-12(5-3-10)13(14,15)16/h2-5,11,18H,6-8H2,1H3,(H,17,19)
InChIKeyHCPKTCKXXPUTGZ-UHFFFAOYSA-N
XLogP1.99
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(hydroxymethyl)-3-(4-methylphenyl)propyl]acetamide
CID 82350206
ethane;N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 144998983
tert-butyl N-[2-[(4-tert-butylphenyl)methyl]-3-hydroxypropyl]carbamate
CID 106508886
2-acetamido-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 143901871
(2R)-2-[1-[4-(trifluoromethyl)phenyl]propan-2-ylamino]propanoic acid
CID 122038148
2-acetamido-N-[2-oxo-2-[[4-(trifluoromethyl)phenyl]methylamino]ethyl]acetamide
CID 60559844
N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]acetamide
CID 60583798
N-[2-(4-acetamidophenyl)ethyl]-2-methyl-3-[4-(trifluoromethyl)phenyl]propanamide
CID 167926376
ethyl 2-amino-3-[4-(trifluoromethyl)phenyl]propanoate
CID 3372676
2,3-dihydroxy-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 143478506
N-propan-2-yl-2-[[4-(trifluoromethyl)phenyl]methyl]butan-1-amine
CID 55082770
N-(2-chloropropyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 113271516

Frequently Asked Questions

What is the IUPAC name of N-[2-(hydroxymethyl)-3-[4-(trifluoromethyl)phenyl]propyl]acetamide?
The IUPAC name of N-[2-(hydroxymethyl)-3-[4-(trifluoromethyl)phenyl]propyl]acetamide (CID 82350242) is N-[2-(hydroxymethyl)-3-[4-(trifluoromethyl)phenyl]propyl]acetamide.
What is the SMILES notation for N-[2-(hydroxymethyl)-3-[4-(trifluoromethyl)phenyl]propyl]acetamide?
The canonical SMILES for N-[2-(hydroxymethyl)-3-[4-(trifluoromethyl)phenyl]propyl]acetamide is CC(=O)NCC(CO)Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[2-(hydroxymethyl)-3-[4-(trifluoromethyl)phenyl]propyl]acetamide?
The InChIKey is HCPKTCKXXPUTGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO2/c1-9(19)17-7-11(8-18)6-10-2-4-12(5-3-10)13(14,15)16/h2-5,11,18H,6-8H2,1H3,(H,17,19).
What are the key properties of N-[2-(hydroxymethyl)-3-[4-(trifluoromethyl)phenyl]propyl]acetamide?
N-[2-(hydroxymethyl)-3-[4-(trifluoromethyl)phenyl]propyl]acetamide has a molecular weight of 275.27 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(hydroxymethyl)-3-[4-(trifluoromethyl)phenyl]propyl]acetamide is sourced from PubChem (CID 82350242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).