N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-3,5-dimethoxybenzamide

C18H18F3NO4 — CID 90534721

IUPACN-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)NCC(O)c2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C18H18F3NO4/c1-25-14-7-12(8-15(9-14)26-2)17(24)22-10-16(23)11-3-5-13(6-4-11)18(19,20)21/h3-9,16,23H,10H2,1-2H3,(H,22,24)
InChIKeyPCJIHNOXFFQMTH-UHFFFAOYSA-N
MW369.34 g/mol
LogP3.19
Rot. Bonds6

About N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-3,5-dimethoxybenzamide

N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-3,5-dimethoxybenzamide (PubChem CID 90534721) has the molecular formula C18H18F3NO4 and a molecular weight of 369.34 g/mol. Its IUPAC name is N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-3,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-3,5-dimethoxybenzamide
PubChem CID90534721
Molecular FormulaC18H18F3NO4
Molecular Weight369.34 g/mol
Exact Mass369.12
IUPAC NameN-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)NCC(O)c2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C18H18F3NO4/c1-25-14-7-12(8-15(9-14)26-2)17(24)22-10-16(23)11-3-5-13(6-4-11)18(19,20)21/h3-9,16,23H,10H2,1-2H3,(H,22,24)
InChIKeyPCJIHNOXFFQMTH-UHFFFAOYSA-N
XLogP3.19
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.34
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-chlorophenyl)-2-hydroxyethyl]-3,5-dimethoxybenzamide
CID 47022575
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-3-(trifluoromethyl)benzamide
CID 110889483
N-(2-hydroxy-2-thiophen-3-ylethyl)-3,5-dimethoxybenzamide
CID 90496493
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 47178909
4-fluoro-N-[(2R)-2-hydroxy-2-(4-methoxyphenyl)ethyl]benzamide
CID 38800266
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-4-methylbenzamide
CID 110889479
3-cyano-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]benzamide
CID 56765428
4-bromo-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-3,5-dimethoxybenzamide
CID 55655345
N-[(2S)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2-methylbenzamide
CID 95368142
N'-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-N-(2-methylpropyl)oxamide
CID 90534872
N-[2-(3,5-dimethoxyphenyl)-2-hydroxyethyl]-4-fluoro-3-methylbenzamide
CID 122140846
N-[(2S)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-7-methoxy-1-benzofuran-2-carboxamide
CID 95368202

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-3,5-dimethoxybenzamide?
The IUPAC name of N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-3,5-dimethoxybenzamide (CID 90534721) is N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-3,5-dimethoxybenzamide.
What is the SMILES notation for N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-3,5-dimethoxybenzamide?
The canonical SMILES for N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-3,5-dimethoxybenzamide is COc1cc(OC)cc(C(=O)NCC(O)c2ccc(C(F)(F)F)cc2)c1.
What is the InChIKey of N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-3,5-dimethoxybenzamide?
The InChIKey is PCJIHNOXFFQMTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3NO4/c1-25-14-7-12(8-15(9-14)26-2)17(24)22-10-16(23)11-3-5-13(6-4-11)18(19,20)21/h3-9,16,23H,10H2,1-2H3,(H,22,24).
What are the key properties of N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-3,5-dimethoxybenzamide?
N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-3,5-dimethoxybenzamide has a molecular weight of 369.34 g/mol, XLogP of 3.19, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-3,5-dimethoxybenzamide is sourced from PubChem (CID 90534721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).