N-[(4-hydroxyoxan-4-yl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide

C15H18F3NO3 — CID 111486161

IUPACN-[(4-hydroxyoxan-4-yl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cc1ccc(C(F)(F)F)cc1)NCC1(O)CCOCC1
InChIInChI=1S/C15H18F3NO3/c16-15(17,18)12-3-1-11(2-4-12)9-13(20)19-10-14(21)5-7-22-8-6-14/h1-4,21H,5-10H2,(H,19,20)
InChIKeyOYYDFUNMNXPLHF-UHFFFAOYSA-N
MW317.31 g/mol
LogP1.91
Rot. Bonds4

About N-[(4-hydroxyoxan-4-yl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide

N-[(4-hydroxyoxan-4-yl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 111486161) has the molecular formula C15H18F3NO3 and a molecular weight of 317.31 g/mol. Its IUPAC name is N-[(4-hydroxyoxan-4-yl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[(4-hydroxyoxan-4-yl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID111486161
Molecular FormulaC15H18F3NO3
Molecular Weight317.31 g/mol
Exact Mass317.12
IUPAC NameN-[(4-hydroxyoxan-4-yl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cc1ccc(C(F)(F)F)cc1)NCC1(O)CCOCC1
InChIInChI=1S/C15H18F3NO3/c16-15(17,18)12-3-1-11(2-4-12)9-13(20)19-10-14(21)5-7-22-8-6-14/h1-4,21H,5-10H2,(H,19,20)
InChIKeyOYYDFUNMNXPLHF-UHFFFAOYSA-N
XLogP1.91
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.31
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-hydroxyoxan-4-yl)methyl]-2-phenylacetamide
CID 79038917
N-[(4-hydroxyoxan-4-yl)methyl]-5-(trifluoromethyl)pyridine-2-carboxamide
CID 115664962
(2R)-N-[[(3R)-3-hydroxyoxolan-3-yl]methyl]-2-[[4-(trifluoromethyl)phenyl]methyl]butanamide
CID 100757807
2-(4-bromophenyl)-N-[(3-hydroxyoxolan-3-yl)methyl]acetamide
CID 113337956
2-(3,4-dimethoxyphenyl)-N-[(4-hydroxyoxan-4-yl)methyl]acetamide
CID 71788625
3-(4-fluorophenyl)-N-[(4-hydroxyoxan-4-yl)methyl]propanamide
CID 79039118
N-[(4-hydroxythian-4-yl)methyl]-3-[4-(trifluoromethyl)phenyl]propanamide
CID 111484990
2-(3-chlorophenyl)-N-[(4-hydroxyoxan-4-yl)methyl]acetamide
CID 79039515
N-[[1-(methoxymethyl)cyclopentyl]methyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 91776931
N-[[(3S)-3-hydroxyoxolan-3-yl]methyl]-N'-[4-(trifluoromethyl)phenyl]oxamide
CID 129397923
N-[(4-hydroxyoxan-4-yl)methyl]-3-[3-(trifluoromethyl)phenyl]butanamide
CID 111486072
5-bromo-N-[2-[(4-hydroxyoxan-4-yl)methylamino]-2-oxoethyl]furan-2-carboxamide
CID 79515242

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxyoxan-4-yl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-[(4-hydroxyoxan-4-yl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide (CID 111486161) is N-[(4-hydroxyoxan-4-yl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-[(4-hydroxyoxan-4-yl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-[(4-hydroxyoxan-4-yl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide is O=C(Cc1ccc(C(F)(F)F)cc1)NCC1(O)CCOCC1.
What is the InChIKey of N-[(4-hydroxyoxan-4-yl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is OYYDFUNMNXPLHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3NO3/c16-15(17,18)12-3-1-11(2-4-12)9-13(20)19-10-14(21)5-7-22-8-6-14/h1-4,21H,5-10H2,(H,19,20).
What are the key properties of N-[(4-hydroxyoxan-4-yl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide?
N-[(4-hydroxyoxan-4-yl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 317.31 g/mol, XLogP of 1.91, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxyoxan-4-yl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 111486161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).