N-(4-fluorophenyl)-4-(4-methylphenoxy)benzamide

C20H16FNO2 — CID 16651045

IUPACN-(4-fluorophenyl)-4-(4-methylphenoxy)benzamide
SMILESCc1ccc(Oc2ccc(C(=O)Nc3ccc(F)cc3)cc2)cc1
InChIInChI=1S/C20H16FNO2/c1-14-2-10-18(11-3-14)24-19-12-4-15(5-13-19)20(23)22-17-8-6-16(21)7-9-17/h2-13H,1H3,(H,22,23)
InChIKeyWGENXBFWJFBMHN-UHFFFAOYSA-N
MW321.35 g/mol
LogP5.18
Rot. Bonds4

About N-(4-fluorophenyl)-4-(4-methylphenoxy)benzamide

N-(4-fluorophenyl)-4-(4-methylphenoxy)benzamide (PubChem CID 16651045) has the molecular formula C20H16FNO2 and a molecular weight of 321.35 g/mol. Its IUPAC name is N-(4-fluorophenyl)-4-(4-methylphenoxy)benzamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-4-(4-methylphenoxy)benzamide
PubChem CID16651045
Molecular FormulaC20H16FNO2
Molecular Weight321.35 g/mol
Exact Mass321.12
IUPAC NameN-(4-fluorophenyl)-4-(4-methylphenoxy)benzamide
SMILESCc1ccc(Oc2ccc(C(=O)Nc3ccc(F)cc3)cc2)cc1
InChIInChI=1S/C20H16FNO2/c1-14-2-10-18(11-3-14)24-19-12-4-15(5-13-19)20(23)22-17-8-6-16(21)7-9-17/h2-13H,1H3,(H,22,23)
InChIKeyWGENXBFWJFBMHN-UHFFFAOYSA-N
XLogP5.18
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.35
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-4-(4-methylphenoxy)benzamide?
The IUPAC name of N-(4-fluorophenyl)-4-(4-methylphenoxy)benzamide (CID 16651045) is N-(4-fluorophenyl)-4-(4-methylphenoxy)benzamide.
What is the SMILES notation for N-(4-fluorophenyl)-4-(4-methylphenoxy)benzamide?
The canonical SMILES for N-(4-fluorophenyl)-4-(4-methylphenoxy)benzamide is Cc1ccc(Oc2ccc(C(=O)Nc3ccc(F)cc3)cc2)cc1.
What is the InChIKey of N-(4-fluorophenyl)-4-(4-methylphenoxy)benzamide?
The InChIKey is WGENXBFWJFBMHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FNO2/c1-14-2-10-18(11-3-14)24-19-12-4-15(5-13-19)20(23)22-17-8-6-16(21)7-9-17/h2-13H,1H3,(H,22,23).
What are the key properties of N-(4-fluorophenyl)-4-(4-methylphenoxy)benzamide?
N-(4-fluorophenyl)-4-(4-methylphenoxy)benzamide has a molecular weight of 321.35 g/mol, XLogP of 5.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-4-(4-methylphenoxy)benzamide is sourced from PubChem (CID 16651045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).