4-(3-methylphenoxy)-N-[3-(trifluoromethyl)phenyl]benzamide

C21H16F3NO2 — CID 16650952

IUPAC4-(3-methylphenoxy)-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESCc1cccc(Oc2ccc(C(=O)Nc3cccc(C(F)(F)F)c3)cc2)c1
InChIInChI=1S/C21H16F3NO2/c1-14-4-2-7-19(12-14)27-18-10-8-15(9-11-18)20(26)25-17-6-3-5-16(13-17)21(22,23)24/h2-13H,1H3,(H,25,26)
InChIKeyQTUACYFFZYYNGG-UHFFFAOYSA-N
MW371.36 g/mol
LogP6.06
Rot. Bonds4

About 4-(3-methylphenoxy)-N-[3-(trifluoromethyl)phenyl]benzamide

4-(3-methylphenoxy)-N-[3-(trifluoromethyl)phenyl]benzamide (PubChem CID 16650952) has the molecular formula C21H16F3NO2 and a molecular weight of 371.36 g/mol. Its IUPAC name is 4-(3-methylphenoxy)-N-[3-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name4-(3-methylphenoxy)-N-[3-(trifluoromethyl)phenyl]benzamide
PubChem CID16650952
Molecular FormulaC21H16F3NO2
Molecular Weight371.36 g/mol
Exact Mass371.11
IUPAC Name4-(3-methylphenoxy)-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESCc1cccc(Oc2ccc(C(=O)Nc3cccc(C(F)(F)F)c3)cc2)c1
InChIInChI=1S/C21H16F3NO2/c1-14-4-2-7-19(12-14)27-18-10-8-15(9-11-18)20(26)25-17-6-3-5-16(13-17)21(22,23)24/h2-13H,1H3,(H,25,26)
InChIKeyQTUACYFFZYYNGG-UHFFFAOYSA-N
XLogP6.06
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.36
LogP ≤ 56.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-fluorophenyl)-4-(3-methylphenoxy)benzamide
CID 16650951
N-(3-methylphenyl)-4-[4-[(3-methylphenyl)carbamoyl]phenoxy]benzamide
CID 3539312
N-(3-methylphenyl)-4-phenoxybenzamide
CID 7946520
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(3-methylphenoxy)benzamide
CID 16650954
4-fluoro-N-[4-(3-methylphenoxy)phenyl]benzamide
CID 2114068
4-propan-2-yloxy-N-[3-(trifluoromethyl)phenyl]benzamide
CID 806811
N-(4-acetylphenyl)-4-(3-methylphenoxy)benzamide
CID 16650962
N-(4-chlorophenyl)-4-(3-methylphenoxy)benzamide
CID 16650944
2-methyl-2-[4-[[3-(trifluoromethyl)phenyl]carbamoyl]phenoxy]propanoic acid
CID 22687485
4-hydrazinyl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 62238140
4-methyl-N-(3-phenoxyphenyl)benzamide
CID 59304535
methyl 2-[4-[[3-(trifluoromethyl)phenyl]carbamoyl]phenoxy]propanoate
CID 5072001

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylphenoxy)-N-[3-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 4-(3-methylphenoxy)-N-[3-(trifluoromethyl)phenyl]benzamide (CID 16650952) is 4-(3-methylphenoxy)-N-[3-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 4-(3-methylphenoxy)-N-[3-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 4-(3-methylphenoxy)-N-[3-(trifluoromethyl)phenyl]benzamide is Cc1cccc(Oc2ccc(C(=O)Nc3cccc(C(F)(F)F)c3)cc2)c1.
What is the InChIKey of 4-(3-methylphenoxy)-N-[3-(trifluoromethyl)phenyl]benzamide?
The InChIKey is QTUACYFFZYYNGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F3NO2/c1-14-4-2-7-19(12-14)27-18-10-8-15(9-11-18)20(26)25-17-6-3-5-16(13-17)21(22,23)24/h2-13H,1H3,(H,25,26).
What are the key properties of 4-(3-methylphenoxy)-N-[3-(trifluoromethyl)phenyl]benzamide?
4-(3-methylphenoxy)-N-[3-(trifluoromethyl)phenyl]benzamide has a molecular weight of 371.36 g/mol, XLogP of 6.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylphenoxy)-N-[3-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 16650952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).