2-(4-fluorophenyl)-N-(2-methoxy-2-phenylbutyl)acetamide

C19H22FNO2 — CID 90599474

IUPAC2-(4-fluorophenyl)-N-(2-methoxy-2-phenylbutyl)acetamide
SMILESCCC(CNC(=O)Cc1ccc(F)cc1)(OC)c1ccccc1
InChIInChI=1S/C19H22FNO2/c1-3-19(23-2,16-7-5-4-6-8-16)14-21-18(22)13-15-9-11-17(20)12-10-15/h4-12H,3,13-14H2,1-2H3,(H,21,22)
InChIKeyVSCNZFQLZHUZKG-UHFFFAOYSA-N
MW315.39 g/mol
LogP3.44
Rot. Bonds7

About 2-(4-fluorophenyl)-N-(2-methoxy-2-phenylbutyl)acetamide

2-(4-fluorophenyl)-N-(2-methoxy-2-phenylbutyl)acetamide (PubChem CID 90599474) has the molecular formula C19H22FNO2 and a molecular weight of 315.39 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-(2-methoxy-2-phenylbutyl)acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-(2-methoxy-2-phenylbutyl)acetamide
PubChem CID90599474
Molecular FormulaC19H22FNO2
Molecular Weight315.39 g/mol
Exact Mass315.16
IUPAC Name2-(4-fluorophenyl)-N-(2-methoxy-2-phenylbutyl)acetamide
SMILESCCC(CNC(=O)Cc1ccc(F)cc1)(OC)c1ccccc1
InChIInChI=1S/C19H22FNO2/c1-3-19(23-2,16-7-5-4-6-8-16)14-21-18(22)13-15-9-11-17(20)12-10-15/h4-12H,3,13-14H2,1-2H3,(H,21,22)
InChIKeyVSCNZFQLZHUZKG-UHFFFAOYSA-N
XLogP3.44
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-(2-methoxy-2-phenylbutyl)acetamide?
The IUPAC name of 2-(4-fluorophenyl)-N-(2-methoxy-2-phenylbutyl)acetamide (CID 90599474) is 2-(4-fluorophenyl)-N-(2-methoxy-2-phenylbutyl)acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-(2-methoxy-2-phenylbutyl)acetamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-(2-methoxy-2-phenylbutyl)acetamide is CCC(CNC(=O)Cc1ccc(F)cc1)(OC)c1ccccc1.
What is the InChIKey of 2-(4-fluorophenyl)-N-(2-methoxy-2-phenylbutyl)acetamide?
The InChIKey is VSCNZFQLZHUZKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FNO2/c1-3-19(23-2,16-7-5-4-6-8-16)14-21-18(22)13-15-9-11-17(20)12-10-15/h4-12H,3,13-14H2,1-2H3,(H,21,22).
What are the key properties of 2-(4-fluorophenyl)-N-(2-methoxy-2-phenylbutyl)acetamide?
2-(4-fluorophenyl)-N-(2-methoxy-2-phenylbutyl)acetamide has a molecular weight of 315.39 g/mol, XLogP of 3.44, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-(2-methoxy-2-phenylbutyl)acetamide is sourced from PubChem (CID 90599474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).