4-[(4-methylphenoxy)methyl]-N-[2-(trifluoromethyl)phenyl]benzamide

C22H18F3NO2 — CID 3304613

IUPAC4-[(4-methylphenoxy)methyl]-N-[2-(trifluoromethyl)phenyl]benzamide
SMILESCc1ccc(OCc2ccc(C(=O)Nc3ccccc3C(F)(F)F)cc2)cc1
InChIInChI=1S/C22H18F3NO2/c1-15-6-12-18(13-7-15)28-14-16-8-10-17(11-9-16)21(27)26-20-5-3-2-4-19(20)22(23,24)25/h2-13H,14H2,1H3,(H,26,27)
InChIKeyHZGXLNPRLPECQX-UHFFFAOYSA-N
MW385.39 g/mol
LogP5.85
Rot. Bonds5

About 4-[(4-methylphenoxy)methyl]-N-[2-(trifluoromethyl)phenyl]benzamide

4-[(4-methylphenoxy)methyl]-N-[2-(trifluoromethyl)phenyl]benzamide (PubChem CID 3304613) has the molecular formula C22H18F3NO2 and a molecular weight of 385.39 g/mol. Its IUPAC name is 4-[(4-methylphenoxy)methyl]-N-[2-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name4-[(4-methylphenoxy)methyl]-N-[2-(trifluoromethyl)phenyl]benzamide
PubChem CID3304613
Molecular FormulaC22H18F3NO2
Molecular Weight385.39 g/mol
Exact Mass385.13
IUPAC Name4-[(4-methylphenoxy)methyl]-N-[2-(trifluoromethyl)phenyl]benzamide
SMILESCc1ccc(OCc2ccc(C(=O)Nc3ccccc3C(F)(F)F)cc2)cc1
InChIInChI=1S/C22H18F3NO2/c1-15-6-12-18(13-7-15)28-14-16-8-10-17(11-9-16)21(27)26-20-5-3-2-4-19(20)22(23,24)25/h2-13H,14H2,1H3,(H,26,27)
InChIKeyHZGXLNPRLPECQX-UHFFFAOYSA-N
XLogP5.85
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.39
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethoxy-4-[(4-methylphenyl)methoxy]-N-[2-(trifluoromethyl)phenyl]benzamide
CID 3450576
4-[(2-chlorophenyl)methoxy]-N-[2-(trifluoromethyl)phenyl]benzamide
CID 8813320
N-(2-methylphenyl)-4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethoxy]benzamide
CID 1188045
methyl 4-[[5-[[2-(trifluoromethyl)phenyl]carbamoyl]furan-2-yl]methoxy]benzoate
CID 19448946
4-phenoxy-N-[2-(trifluoromethyl)phenyl]benzamide
CID 16651583
N-(2,3-dimethylphenyl)-4-(phenoxymethyl)benzamide
CID 7946940
N-(5-chloro-2-methylphenyl)-4-[(4-methylphenoxy)methyl]benzamide
CID 4008136
4-methyl-N-[[2-(trifluoromethyl)phenyl]carbamothioyl]benzamide
CID 880639
4-ethoxy-N-[[2-(trifluoromethyl)phenyl]carbamothioyl]benzamide
CID 1242400
4-[(3,4-dimethylphenoxy)methyl]-N-(2-ethylphenyl)benzamide
CID 1303331
N-(5-bromoquinolin-8-yl)-4-[(4-methylphenoxy)methyl]benzamide
CID 126187586
1-N-(4-methylphenyl)-3-N-[2-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide
CID 109056986

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methylphenoxy)methyl]-N-[2-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 4-[(4-methylphenoxy)methyl]-N-[2-(trifluoromethyl)phenyl]benzamide (CID 3304613) is 4-[(4-methylphenoxy)methyl]-N-[2-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 4-[(4-methylphenoxy)methyl]-N-[2-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 4-[(4-methylphenoxy)methyl]-N-[2-(trifluoromethyl)phenyl]benzamide is Cc1ccc(OCc2ccc(C(=O)Nc3ccccc3C(F)(F)F)cc2)cc1.
What is the InChIKey of 4-[(4-methylphenoxy)methyl]-N-[2-(trifluoromethyl)phenyl]benzamide?
The InChIKey is HZGXLNPRLPECQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F3NO2/c1-15-6-12-18(13-7-15)28-14-16-8-10-17(11-9-16)21(27)26-20-5-3-2-4-19(20)22(23,24)25/h2-13H,14H2,1H3,(H,26,27).
What are the key properties of 4-[(4-methylphenoxy)methyl]-N-[2-(trifluoromethyl)phenyl]benzamide?
4-[(4-methylphenoxy)methyl]-N-[2-(trifluoromethyl)phenyl]benzamide has a molecular weight of 385.39 g/mol, XLogP of 5.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methylphenoxy)methyl]-N-[2-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 3304613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).