2-(2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)benzamide

C18H18F3NO2 — CID 66716587

IUPAC2-(2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)benzamide
SMILESCOc1ccc(C(C)C)cc1-c1ccc(C(F)(F)F)cc1C(N)=O
InChIInChI=1S/C18H18F3NO2/c1-10(2)11-4-7-16(24-3)14(8-11)13-6-5-12(18(19,20)21)9-15(13)17(22)23/h4-10H,1-3H3,(H2,22,23)
InChIKeyNPFRPLRPKNJEDL-UHFFFAOYSA-N
MW337.34 g/mol
LogP4.60
Rot. Bonds4

About 2-(2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)benzamide

2-(2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)benzamide (PubChem CID 66716587) has the molecular formula C18H18F3NO2 and a molecular weight of 337.34 g/mol. Its IUPAC name is 2-(2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-(2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)benzamide
PubChem CID66716587
Molecular FormulaC18H18F3NO2
Molecular Weight337.34 g/mol
Exact Mass337.13
IUPAC Name2-(2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)benzamide
SMILESCOc1ccc(C(C)C)cc1-c1ccc(C(F)(F)F)cc1C(N)=O
InChIInChI=1S/C18H18F3NO2/c1-10(2)11-4-7-16(24-3)14(8-11)13-6-5-12(18(19,20)21)9-15(13)17(22)23/h4-10H,1-3H3,(H2,22,23)
InChIKeyNPFRPLRPKNJEDL-UHFFFAOYSA-N
XLogP4.60
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.34
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)benzamide?
The IUPAC name of 2-(2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)benzamide (CID 66716587) is 2-(2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-(2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)benzamide?
The canonical SMILES for 2-(2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)benzamide is COc1ccc(C(C)C)cc1-c1ccc(C(F)(F)F)cc1C(N)=O.
What is the InChIKey of 2-(2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)benzamide?
The InChIKey is NPFRPLRPKNJEDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3NO2/c1-10(2)11-4-7-16(24-3)14(8-11)13-6-5-12(18(19,20)21)9-15(13)17(22)23/h4-10H,1-3H3,(H2,22,23).
What are the key properties of 2-(2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)benzamide?
2-(2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)benzamide has a molecular weight of 337.34 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 66716587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).