N-[3-(2-ethyl-4-hydroxy-6-methylphenoxy)propyl]-2-(trifluoromethyl)benzamide

C20H22F3NO3 — CID 174394385

IUPACN-[3-(2-ethyl-4-hydroxy-6-methylphenoxy)propyl]-2-(trifluoromethyl)benzamide
SMILESCCc1cc(O)cc(C)c1OCCCNC(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C20H22F3NO3/c1-3-14-12-15(25)11-13(2)18(14)27-10-6-9-24-19(26)16-7-4-5-8-17(16)20(21,22)23/h4-5,7-8,11-12,25H,3,6,9-10H2,1-2H3,(H,24,26)
InChIKeyVCQBORJCTFCBSI-UHFFFAOYSA-N
MW381.39 g/mol
LogP4.48
Rot. Bonds7

About N-[3-(2-ethyl-4-hydroxy-6-methylphenoxy)propyl]-2-(trifluoromethyl)benzamide

N-[3-(2-ethyl-4-hydroxy-6-methylphenoxy)propyl]-2-(trifluoromethyl)benzamide (PubChem CID 174394385) has the molecular formula C20H22F3NO3 and a molecular weight of 381.39 g/mol. Its IUPAC name is N-[3-(2-ethyl-4-hydroxy-6-methylphenoxy)propyl]-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[3-(2-ethyl-4-hydroxy-6-methylphenoxy)propyl]-2-(trifluoromethyl)benzamide
PubChem CID174394385
Molecular FormulaC20H22F3NO3
Molecular Weight381.39 g/mol
Exact Mass381.16
IUPAC NameN-[3-(2-ethyl-4-hydroxy-6-methylphenoxy)propyl]-2-(trifluoromethyl)benzamide
SMILESCCc1cc(O)cc(C)c1OCCCNC(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C20H22F3NO3/c1-3-14-12-15(25)11-13(2)18(14)27-10-6-9-24-19(26)16-7-4-5-8-17(16)20(21,22)23/h4-5,7-8,11-12,25H,3,6,9-10H2,1-2H3,(H,24,26)
InChIKeyVCQBORJCTFCBSI-UHFFFAOYSA-N
XLogP4.48
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.39
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-hexadecyl-2-(trifluoromethyl)benzamide
CID 91726412
N-octadecyl-2-(trifluoromethyl)benzamide
CID 91726413
ethyl N-[2-[[2-(trifluoromethyl)benzoyl]amino]ethyl]carbamate
CID 108573656
N-(4-aminobutyl)-2-(trifluoromethyl)benzamide
CID 60894679
N-[3-(2-chloro-4-hydroxy-6-methylphenoxy)propyl]benzamide
CID 22006815
N-[2-(2-ethylbutanoylamino)ethyl]-2-(trifluoromethyl)benzamide
CID 108542412
N-(4-chloropentyl)-2-(trifluoromethyl)benzamide
CID 106129608
N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]-2-(trifluoromethyl)benzamide
CID 74766847
N-[2-(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-2-(trifluoromethyl)benzamide
CID 4989152
N-[2-(4-methylphenyl)sulfanylethyl]-2-(trifluoromethyl)benzamide
CID 24629694
N-(5-amino-4-methylpentyl)-2-(trifluoromethyl)benzamide
CID 106152852
tert-butyl N-[2-oxo-2-[3-[[2-(trifluoromethyl)benzoyl]amino]propylamino]ethyl]carbamate
CID 108918760

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-ethyl-4-hydroxy-6-methylphenoxy)propyl]-2-(trifluoromethyl)benzamide?
The IUPAC name of N-[3-(2-ethyl-4-hydroxy-6-methylphenoxy)propyl]-2-(trifluoromethyl)benzamide (CID 174394385) is N-[3-(2-ethyl-4-hydroxy-6-methylphenoxy)propyl]-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[3-(2-ethyl-4-hydroxy-6-methylphenoxy)propyl]-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-[3-(2-ethyl-4-hydroxy-6-methylphenoxy)propyl]-2-(trifluoromethyl)benzamide is CCc1cc(O)cc(C)c1OCCCNC(=O)c1ccccc1C(F)(F)F.
What is the InChIKey of N-[3-(2-ethyl-4-hydroxy-6-methylphenoxy)propyl]-2-(trifluoromethyl)benzamide?
The InChIKey is VCQBORJCTFCBSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3NO3/c1-3-14-12-15(25)11-13(2)18(14)27-10-6-9-24-19(26)16-7-4-5-8-17(16)20(21,22)23/h4-5,7-8,11-12,25H,3,6,9-10H2,1-2H3,(H,24,26).
What are the key properties of N-[3-(2-ethyl-4-hydroxy-6-methylphenoxy)propyl]-2-(trifluoromethyl)benzamide?
N-[3-(2-ethyl-4-hydroxy-6-methylphenoxy)propyl]-2-(trifluoromethyl)benzamide has a molecular weight of 381.39 g/mol, XLogP of 4.48, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-ethyl-4-hydroxy-6-methylphenoxy)propyl]-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 174394385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).