N-[1-(4-propan-2-ylphenyl)propyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide

C22H26F3NO2 — CID 4748624

IUPACN-[1-(4-propan-2-ylphenyl)propyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide
SMILESCCC(NC(=O)c1ccc(COCC(F)(F)F)cc1)c1ccc(C(C)C)cc1
InChIInChI=1S/C22H26F3NO2/c1-4-20(18-11-9-17(10-12-18)15(2)3)26-21(27)19-7-5-16(6-8-19)13-28-14-22(23,24)25/h5-12,15,20H,4,13-14H2,1-3H3,(H,26,27)
InChIKeyUXXUBPZFQGMJOP-UHFFFAOYSA-N
MW393.45 g/mol
LogP5.77
Rot. Bonds8

About N-[1-(4-propan-2-ylphenyl)propyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide

N-[1-(4-propan-2-ylphenyl)propyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide (PubChem CID 4748624) has the molecular formula C22H26F3NO2 and a molecular weight of 393.45 g/mol. Its IUPAC name is N-[1-(4-propan-2-ylphenyl)propyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide.

Molecular Properties

Compound NameN-[1-(4-propan-2-ylphenyl)propyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide
PubChem CID4748624
Molecular FormulaC22H26F3NO2
Molecular Weight393.45 g/mol
Exact Mass393.19
IUPAC NameN-[1-(4-propan-2-ylphenyl)propyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide
SMILESCCC(NC(=O)c1ccc(COCC(F)(F)F)cc1)c1ccc(C(C)C)cc1
InChIInChI=1S/C22H26F3NO2/c1-4-20(18-11-9-17(10-12-18)15(2)3)26-21(27)19-7-5-16(6-8-19)13-28-14-22(23,24)25/h5-12,15,20H,4,13-14H2,1-3H3,(H,26,27)
InChIKeyUXXUBPZFQGMJOP-UHFFFAOYSA-N
XLogP5.77
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.45
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-propan-2-ylphenyl)propyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide?
The IUPAC name of N-[1-(4-propan-2-ylphenyl)propyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide (CID 4748624) is N-[1-(4-propan-2-ylphenyl)propyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide.
What is the SMILES notation for N-[1-(4-propan-2-ylphenyl)propyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide?
The canonical SMILES for N-[1-(4-propan-2-ylphenyl)propyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide is CCC(NC(=O)c1ccc(COCC(F)(F)F)cc1)c1ccc(C(C)C)cc1.
What is the InChIKey of N-[1-(4-propan-2-ylphenyl)propyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide?
The InChIKey is UXXUBPZFQGMJOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26F3NO2/c1-4-20(18-11-9-17(10-12-18)15(2)3)26-21(27)19-7-5-16(6-8-19)13-28-14-22(23,24)25/h5-12,15,20H,4,13-14H2,1-3H3,(H,26,27).
What are the key properties of N-[1-(4-propan-2-ylphenyl)propyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide?
N-[1-(4-propan-2-ylphenyl)propyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide has a molecular weight of 393.45 g/mol, XLogP of 5.77, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-propan-2-ylphenyl)propyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide is sourced from PubChem (CID 4748624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).