2-hydroxy-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-2-[4-(trifluoromethyl)phenyl]acetamide

C18H18F3NO4 — CID 69018228

IUPAC2-hydroxy-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-2-[4-(trifluoromethyl)phenyl]acetamide
SMILESCOc1cc(CCNC(=O)C(O)c2ccc(C(F)(F)F)cc2)ccc1O
InChIInChI=1S/C18H18F3NO4/c1-26-15-10-11(2-7-14(15)23)8-9-22-17(25)16(24)12-3-5-13(6-4-12)18(19,20)21/h2-7,10,16,23-24H,8-9H2,1H3,(H,22,25)
InChIKeyLSMHXVBBQJKFRN-UHFFFAOYSA-N
MW369.34 g/mol
LogP2.81
Rot. Bonds6

About 2-hydroxy-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-2-[4-(trifluoromethyl)phenyl]acetamide

2-hydroxy-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-2-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 69018228) has the molecular formula C18H18F3NO4 and a molecular weight of 369.34 g/mol. Its IUPAC name is 2-hydroxy-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-2-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-hydroxy-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-2-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID69018228
Molecular FormulaC18H18F3NO4
Molecular Weight369.34 g/mol
Exact Mass369.12
IUPAC Name2-hydroxy-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-2-[4-(trifluoromethyl)phenyl]acetamide
SMILESCOc1cc(CCNC(=O)C(O)c2ccc(C(F)(F)F)cc2)ccc1O
InChIInChI=1S/C18H18F3NO4/c1-26-15-10-11(2-7-14(15)23)8-9-22-17(25)16(24)12-3-5-13(6-4-12)18(19,20)21/h2-7,10,16,23-24H,8-9H2,1H3,(H,22,25)
InChIKeyLSMHXVBBQJKFRN-UHFFFAOYSA-N
XLogP2.81
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.34
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-hydroxy-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-2-(4-phenylphenyl)acetamide
CID 69017627
2-methoxy-4-[(3S)-3-[[4-(trifluoromethyl)phenyl]methylamino]butyl]phenol
CID 71277050
(2R)-2-(5-chlorothiophen-2-yl)-2-hydroxy-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]acetamide
CID 69019591
2-amino-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-2-methylpropanamide
CID 67520120
N-(2-aminoethyl)-2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)acetamide;hydrochloride
CID 170901975
2-methoxy-4-[3-methyl-3-[[4-(trifluoromethyl)phenyl]methylamino]butyl]phenol
CID 71277035
2-(3,4-dimethoxyphenyl)-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]acetamide
CID 73292355
2-(3,4-dihydroxyphenyl)-N-[2-(3,4-dihydroxyphenyl)ethyl]-2-hydroxyacetamide;2-(3,4-dihydroxyphenyl)-2-hydroxyacetic acid
CID 157283919
tert-butyl N-[1-[2-(4-hydroxy-3-methoxyphenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 18412064
3-(3-chloro-4-methoxyphenyl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]propanamide
CID 55512219
2-(3,4-dichlorophenyl)-N-[2-(4-ethoxy-3-methoxyphenyl)ethyl]-2-hydroxyacetamide
CID 54368713
ethane;2-methoxy-4-[3-[[2-methoxy-4-(trifluoromethyl)phenyl]methylamino]butyl]phenol
CID 144539777

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-2-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-hydroxy-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-2-[4-(trifluoromethyl)phenyl]acetamide (CID 69018228) is 2-hydroxy-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-2-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-hydroxy-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-2-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-hydroxy-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-2-[4-(trifluoromethyl)phenyl]acetamide is COc1cc(CCNC(=O)C(O)c2ccc(C(F)(F)F)cc2)ccc1O.
What is the InChIKey of 2-hydroxy-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-2-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is LSMHXVBBQJKFRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3NO4/c1-26-15-10-11(2-7-14(15)23)8-9-22-17(25)16(24)12-3-5-13(6-4-12)18(19,20)21/h2-7,10,16,23-24H,8-9H2,1H3,(H,22,25).
What are the key properties of 2-hydroxy-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-2-[4-(trifluoromethyl)phenyl]acetamide?
2-hydroxy-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-2-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 369.34 g/mol, XLogP of 2.81, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-2-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 69018228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).