N-[4-(4-methylphenoxy)phenyl]-4-(trifluoromethoxy)benzamide

C21H16F3NO3 — CID 7925236

IUPACN-[4-(4-methylphenoxy)phenyl]-4-(trifluoromethoxy)benzamide
SMILESCc1ccc(Oc2ccc(NC(=O)c3ccc(OC(F)(F)F)cc3)cc2)cc1
InChIInChI=1S/C21H16F3NO3/c1-14-2-8-17(9-3-14)27-18-12-6-16(7-13-18)25-20(26)15-4-10-19(11-5-15)28-21(22,23)24/h2-13H,1H3,(H,25,26)
InChIKeyXGFDQLLVMDXZMC-UHFFFAOYSA-N
MW387.36 g/mol
LogP5.94
Rot. Bonds5

About N-[4-(4-methylphenoxy)phenyl]-4-(trifluoromethoxy)benzamide

N-[4-(4-methylphenoxy)phenyl]-4-(trifluoromethoxy)benzamide (PubChem CID 7925236) has the molecular formula C21H16F3NO3 and a molecular weight of 387.36 g/mol. Its IUPAC name is N-[4-(4-methylphenoxy)phenyl]-4-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-[4-(4-methylphenoxy)phenyl]-4-(trifluoromethoxy)benzamide
PubChem CID7925236
Molecular FormulaC21H16F3NO3
Molecular Weight387.36 g/mol
Exact Mass387.11
IUPAC NameN-[4-(4-methylphenoxy)phenyl]-4-(trifluoromethoxy)benzamide
SMILESCc1ccc(Oc2ccc(NC(=O)c3ccc(OC(F)(F)F)cc3)cc2)cc1
InChIInChI=1S/C21H16F3NO3/c1-14-2-8-17(9-3-14)27-18-12-6-16(7-13-18)25-20(26)15-4-10-19(11-5-15)28-21(22,23)24/h2-13H,1H3,(H,25,26)
InChIKeyXGFDQLLVMDXZMC-UHFFFAOYSA-N
XLogP5.94
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.36
LogP ≤ 55.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 2678249
N-(4-fluorophenyl)-4-(4-methylphenoxy)benzamide
CID 16651045
N-(4-methoxyphenyl)-4-(4-methylphenoxy)benzamide
CID 16651033
4-sulfanyl-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 107020507
4-methylsulfinyl-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 51191579
2-methyl-2-[4-[(4-methylbenzoyl)amino]phenoxy]propanoic acid
CID 118097919
N-[4-(trifluoromethoxy)phenyl]pyridine-4-carboxamide
CID 2711308
(4-methylphenyl) 4-[(4-methylbenzoyl)amino]benzoate
CID 71408981
4-(methylsulfanylmethyl)-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 2526024
N-(4-methylphenyl)-4-(trifluoromethyl)benzamide
CID 599447
N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-(trifluoromethoxy)benzamide
CID 8534106
4-[[4-[4-[(4-carboxyphenyl)carbamoyl]phenoxy]benzoyl]amino]benzoic acid
CID 1113230

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylphenoxy)phenyl]-4-(trifluoromethoxy)benzamide?
The IUPAC name of N-[4-(4-methylphenoxy)phenyl]-4-(trifluoromethoxy)benzamide (CID 7925236) is N-[4-(4-methylphenoxy)phenyl]-4-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-[4-(4-methylphenoxy)phenyl]-4-(trifluoromethoxy)benzamide?
The canonical SMILES for N-[4-(4-methylphenoxy)phenyl]-4-(trifluoromethoxy)benzamide is Cc1ccc(Oc2ccc(NC(=O)c3ccc(OC(F)(F)F)cc3)cc2)cc1.
What is the InChIKey of N-[4-(4-methylphenoxy)phenyl]-4-(trifluoromethoxy)benzamide?
The InChIKey is XGFDQLLVMDXZMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F3NO3/c1-14-2-8-17(9-3-14)27-18-12-6-16(7-13-18)25-20(26)15-4-10-19(11-5-15)28-21(22,23)24/h2-13H,1H3,(H,25,26).
What are the key properties of N-[4-(4-methylphenoxy)phenyl]-4-(trifluoromethoxy)benzamide?
N-[4-(4-methylphenoxy)phenyl]-4-(trifluoromethoxy)benzamide has a molecular weight of 387.36 g/mol, XLogP of 5.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methylphenoxy)phenyl]-4-(trifluoromethoxy)benzamide is sourced from PubChem (CID 7925236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).