2-(4-fluorophenoxy)-N-[3-(4-methoxyphenyl)-4-phenylbutan-2-yl]-2-methylpropanamide

C27H30FNO3 — CID 22270575

IUPAC2-(4-fluorophenoxy)-N-[3-(4-methoxyphenyl)-4-phenylbutan-2-yl]-2-methylpropanamide
SMILESCOc1ccc(C(Cc2ccccc2)C(C)NC(=O)C(C)(C)Oc2ccc(F)cc2)cc1
InChIInChI=1S/C27H30FNO3/c1-19(29-26(30)27(2,3)32-24-16-12-22(28)13-17-24)25(18-20-8-6-5-7-9-20)21-10-14-23(31-4)15-11-21/h5-17,19,25H,18H2,1-4H3,(H,29,30)
InChIKeyHIJCBCZZWCRRET-UHFFFAOYSA-N
MW435.54 g/mol
LogP5.52
Rot. Bonds9

About 2-(4-fluorophenoxy)-N-[3-(4-methoxyphenyl)-4-phenylbutan-2-yl]-2-methylpropanamide

2-(4-fluorophenoxy)-N-[3-(4-methoxyphenyl)-4-phenylbutan-2-yl]-2-methylpropanamide (PubChem CID 22270575) has the molecular formula C27H30FNO3 and a molecular weight of 435.54 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-N-[3-(4-methoxyphenyl)-4-phenylbutan-2-yl]-2-methylpropanamide.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-N-[3-(4-methoxyphenyl)-4-phenylbutan-2-yl]-2-methylpropanamide
PubChem CID22270575
Molecular FormulaC27H30FNO3
Molecular Weight435.54 g/mol
Exact Mass435.22
IUPAC Name2-(4-fluorophenoxy)-N-[3-(4-methoxyphenyl)-4-phenylbutan-2-yl]-2-methylpropanamide
SMILESCOc1ccc(C(Cc2ccccc2)C(C)NC(=O)C(C)(C)Oc2ccc(F)cc2)cc1
InChIInChI=1S/C27H30FNO3/c1-19(29-26(30)27(2,3)32-24-16-12-22(28)13-17-24)25(18-20-8-6-5-7-9-20)21-10-14-23(31-4)15-11-21/h5-17,19,25H,18H2,1-4H3,(H,29,30)
InChIKeyHIJCBCZZWCRRET-UHFFFAOYSA-N
XLogP5.52
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.54
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)-N-[3-(4-methoxyphenyl)-4-phenylbutan-2-yl]-2-methylpropanamide?
The IUPAC name of 2-(4-fluorophenoxy)-N-[3-(4-methoxyphenyl)-4-phenylbutan-2-yl]-2-methylpropanamide (CID 22270575) is 2-(4-fluorophenoxy)-N-[3-(4-methoxyphenyl)-4-phenylbutan-2-yl]-2-methylpropanamide.
What is the SMILES notation for 2-(4-fluorophenoxy)-N-[3-(4-methoxyphenyl)-4-phenylbutan-2-yl]-2-methylpropanamide?
The canonical SMILES for 2-(4-fluorophenoxy)-N-[3-(4-methoxyphenyl)-4-phenylbutan-2-yl]-2-methylpropanamide is COc1ccc(C(Cc2ccccc2)C(C)NC(=O)C(C)(C)Oc2ccc(F)cc2)cc1.
What is the InChIKey of 2-(4-fluorophenoxy)-N-[3-(4-methoxyphenyl)-4-phenylbutan-2-yl]-2-methylpropanamide?
The InChIKey is HIJCBCZZWCRRET-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30FNO3/c1-19(29-26(30)27(2,3)32-24-16-12-22(28)13-17-24)25(18-20-8-6-5-7-9-20)21-10-14-23(31-4)15-11-21/h5-17,19,25H,18H2,1-4H3,(H,29,30).
What are the key properties of 2-(4-fluorophenoxy)-N-[3-(4-methoxyphenyl)-4-phenylbutan-2-yl]-2-methylpropanamide?
2-(4-fluorophenoxy)-N-[3-(4-methoxyphenyl)-4-phenylbutan-2-yl]-2-methylpropanamide has a molecular weight of 435.54 g/mol, XLogP of 5.52, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)-N-[3-(4-methoxyphenyl)-4-phenylbutan-2-yl]-2-methylpropanamide is sourced from PubChem (CID 22270575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).