3-[2-(3-hydroxyphenyl)-5-(trifluoromethyl)phenyl]propanamide

C16H14F3NO2 — CID 172679117

IUPAC3-[2-(3-hydroxyphenyl)-5-(trifluoromethyl)phenyl]propanamide
SMILESNC(=O)CCc1cc(C(F)(F)F)ccc1-c1cccc(O)c1
InChIInChI=1S/C16H14F3NO2/c17-16(18,19)12-5-6-14(10-2-1-3-13(21)9-10)11(8-12)4-7-15(20)22/h1-3,5-6,8-9,21H,4,7H2,(H2,20,22)
InChIKeyADPAEXKDTWBBOP-UHFFFAOYSA-N
MW309.29 g/mol
LogP3.50
Rot. Bonds4

About 3-[2-(3-hydroxyphenyl)-5-(trifluoromethyl)phenyl]propanamide

3-[2-(3-hydroxyphenyl)-5-(trifluoromethyl)phenyl]propanamide (PubChem CID 172679117) has the molecular formula C16H14F3NO2 and a molecular weight of 309.29 g/mol. Its IUPAC name is 3-[2-(3-hydroxyphenyl)-5-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name3-[2-(3-hydroxyphenyl)-5-(trifluoromethyl)phenyl]propanamide
PubChem CID172679117
Molecular FormulaC16H14F3NO2
Molecular Weight309.29 g/mol
Exact Mass309.10
IUPAC Name3-[2-(3-hydroxyphenyl)-5-(trifluoromethyl)phenyl]propanamide
SMILESNC(=O)CCc1cc(C(F)(F)F)ccc1-c1cccc(O)c1
InChIInChI=1S/C16H14F3NO2/c17-16(18,19)12-5-6-14(10-2-1-3-13(21)9-10)11(8-12)4-7-15(20)22/h1-3,5-6,8-9,21H,4,7H2,(H2,20,22)
InChIKeyADPAEXKDTWBBOP-UHFFFAOYSA-N
XLogP3.50
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.29
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[5-(furan-3-yl)-2-(3-hydroxyphenyl)phenyl]propanamide
CID 122539333
3-[2-(3-hydroxyphenyl)-5-(4-methylthiophen-3-yl)phenyl]propanamide
CID 134229810
CID 159681351
CID 159681351
3-[3-(3-amino-3-oxopropyl)-4-(3-hydroxyphenyl)phenyl]benzoic acid;3-[5-(4-aminophenyl)-2-(3-hydroxyphenyl)phenyl]propanamide;3-[5-(4-fluorophenyl)-2-(3-hydroxyphenyl)phenyl]propanamide;3-[2-(3-hydroxyphenyl)-5-(3-methylphenyl)phenyl]propanamide
CID 159268536
2-[2-(3-fluorophenyl)-4-(trifluoromethyl)phenyl]acetamide
CID 46212198
3-[2-[4-(bromomethyl)pyrimidin-2-yl]-5-(trifluoromethyl)phenyl]propanamide
CID 68614872
3-[2-(3-methylphenyl)phenyl]propanamide
CID 155236567
5-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]phenol
CID 134627752
2-ethyl-1-phenyl-4-(trifluoromethyl)benzene
CID 19702469
N-[[5-(3-hydroxyphenyl)isoquinolin-8-yl]methyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 118928916
[2-(3-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methanol
CID 66837706
[2-(3-methoxyphenyl)-5-(trifluoromethyl)phenyl]methanol
CID 172649070

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-hydroxyphenyl)-5-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 3-[2-(3-hydroxyphenyl)-5-(trifluoromethyl)phenyl]propanamide (CID 172679117) is 3-[2-(3-hydroxyphenyl)-5-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 3-[2-(3-hydroxyphenyl)-5-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 3-[2-(3-hydroxyphenyl)-5-(trifluoromethyl)phenyl]propanamide is NC(=O)CCc1cc(C(F)(F)F)ccc1-c1cccc(O)c1.
What is the InChIKey of 3-[2-(3-hydroxyphenyl)-5-(trifluoromethyl)phenyl]propanamide?
The InChIKey is ADPAEXKDTWBBOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3NO2/c17-16(18,19)12-5-6-14(10-2-1-3-13(21)9-10)11(8-12)4-7-15(20)22/h1-3,5-6,8-9,21H,4,7H2,(H2,20,22).
What are the key properties of 3-[2-(3-hydroxyphenyl)-5-(trifluoromethyl)phenyl]propanamide?
3-[2-(3-hydroxyphenyl)-5-(trifluoromethyl)phenyl]propanamide has a molecular weight of 309.29 g/mol, XLogP of 3.50, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-hydroxyphenyl)-5-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 172679117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).