N-butyl-1-[2-(2-fluorophenoxy)acetyl]-N-phenylazetidine-3-carboxamide

C22H25FN2O3 — CID 90512467

IUPACN-butyl-1-[2-(2-fluorophenoxy)acetyl]-N-phenylazetidine-3-carboxamide
SMILESCCCCN(C(=O)C1CN(C(=O)COc2ccccc2F)C1)c1ccccc1
InChIInChI=1S/C22H25FN2O3/c1-2-3-13-25(18-9-5-4-6-10-18)22(27)17-14-24(15-17)21(26)16-28-20-12-8-7-11-19(20)23/h4-12,17H,2-3,13-16H2,1H3
InChIKeyQJTNPLOMMVVJPY-UHFFFAOYSA-N
MW384.45 g/mol
LogP3.50
Rot. Bonds8

About N-butyl-1-[2-(2-fluorophenoxy)acetyl]-N-phenylazetidine-3-carboxamide

N-butyl-1-[2-(2-fluorophenoxy)acetyl]-N-phenylazetidine-3-carboxamide (PubChem CID 90512467) has the molecular formula C22H25FN2O3 and a molecular weight of 384.45 g/mol. Its IUPAC name is N-butyl-1-[2-(2-fluorophenoxy)acetyl]-N-phenylazetidine-3-carboxamide.

Molecular Properties

Compound NameN-butyl-1-[2-(2-fluorophenoxy)acetyl]-N-phenylazetidine-3-carboxamide
PubChem CID90512467
Molecular FormulaC22H25FN2O3
Molecular Weight384.45 g/mol
Exact Mass384.18
IUPAC NameN-butyl-1-[2-(2-fluorophenoxy)acetyl]-N-phenylazetidine-3-carboxamide
SMILESCCCCN(C(=O)C1CN(C(=O)COc2ccccc2F)C1)c1ccccc1
InChIInChI=1S/C22H25FN2O3/c1-2-3-13-25(18-9-5-4-6-10-18)22(27)17-14-24(15-17)21(26)16-28-20-12-8-7-11-19(20)23/h4-12,17H,2-3,13-16H2,1H3
InChIKeyQJTNPLOMMVVJPY-UHFFFAOYSA-N
XLogP3.50
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.45
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-butyl-1-[2-(2-fluorophenoxy)acetyl]-N-phenylazetidine-3-carboxamide?
The IUPAC name of N-butyl-1-[2-(2-fluorophenoxy)acetyl]-N-phenylazetidine-3-carboxamide (CID 90512467) is N-butyl-1-[2-(2-fluorophenoxy)acetyl]-N-phenylazetidine-3-carboxamide.
What is the SMILES notation for N-butyl-1-[2-(2-fluorophenoxy)acetyl]-N-phenylazetidine-3-carboxamide?
The canonical SMILES for N-butyl-1-[2-(2-fluorophenoxy)acetyl]-N-phenylazetidine-3-carboxamide is CCCCN(C(=O)C1CN(C(=O)COc2ccccc2F)C1)c1ccccc1.
What is the InChIKey of N-butyl-1-[2-(2-fluorophenoxy)acetyl]-N-phenylazetidine-3-carboxamide?
The InChIKey is QJTNPLOMMVVJPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN2O3/c1-2-3-13-25(18-9-5-4-6-10-18)22(27)17-14-24(15-17)21(26)16-28-20-12-8-7-11-19(20)23/h4-12,17H,2-3,13-16H2,1H3.
What are the key properties of N-butyl-1-[2-(2-fluorophenoxy)acetyl]-N-phenylazetidine-3-carboxamide?
N-butyl-1-[2-(2-fluorophenoxy)acetyl]-N-phenylazetidine-3-carboxamide has a molecular weight of 384.45 g/mol, XLogP of 3.50, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-[2-(2-fluorophenoxy)acetyl]-N-phenylazetidine-3-carboxamide is sourced from PubChem (CID 90512467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).