N-[3-(difluoromethoxy)phenyl]-1-[2-(2-fluorophenoxy)acetyl]azetidine-3-carboxamide

C19H17F3N2O4 — CID 71785377

IUPACN-[3-(difluoromethoxy)phenyl]-1-[2-(2-fluorophenoxy)acetyl]azetidine-3-carboxamide
SMILESO=C(Nc1cccc(OC(F)F)c1)C1CN(C(=O)COc2ccccc2F)C1
InChIInChI=1S/C19H17F3N2O4/c20-15-6-1-2-7-16(15)27-11-17(25)24-9-12(10-24)18(26)23-13-4-3-5-14(8-13)28-19(21)22/h1-8,12,19H,9-11H2,(H,23,26)
InChIKeyNUPCWNBNXIOSOI-UHFFFAOYSA-N
MW394.35 g/mol
LogP2.90
Rot. Bonds7

About N-[3-(difluoromethoxy)phenyl]-1-[2-(2-fluorophenoxy)acetyl]azetidine-3-carboxamide

N-[3-(difluoromethoxy)phenyl]-1-[2-(2-fluorophenoxy)acetyl]azetidine-3-carboxamide (PubChem CID 71785377) has the molecular formula C19H17F3N2O4 and a molecular weight of 394.35 g/mol. Its IUPAC name is N-[3-(difluoromethoxy)phenyl]-1-[2-(2-fluorophenoxy)acetyl]azetidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(difluoromethoxy)phenyl]-1-[2-(2-fluorophenoxy)acetyl]azetidine-3-carboxamide
PubChem CID71785377
Molecular FormulaC19H17F3N2O4
Molecular Weight394.35 g/mol
Exact Mass394.11
IUPAC NameN-[3-(difluoromethoxy)phenyl]-1-[2-(2-fluorophenoxy)acetyl]azetidine-3-carboxamide
SMILESO=C(Nc1cccc(OC(F)F)c1)C1CN(C(=O)COc2ccccc2F)C1
InChIInChI=1S/C19H17F3N2O4/c20-15-6-1-2-7-16(15)27-11-17(25)24-9-12(10-24)18(26)23-13-4-3-5-14(8-13)28-19(21)22/h1-8,12,19H,9-11H2,(H,23,26)
InChIKeyNUPCWNBNXIOSOI-UHFFFAOYSA-N
XLogP2.90
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.35
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(difluoromethoxy)phenyl]-1-[2-(2-fluorophenoxy)acetyl]azetidine-3-carboxamide?
The IUPAC name of N-[3-(difluoromethoxy)phenyl]-1-[2-(2-fluorophenoxy)acetyl]azetidine-3-carboxamide (CID 71785377) is N-[3-(difluoromethoxy)phenyl]-1-[2-(2-fluorophenoxy)acetyl]azetidine-3-carboxamide.
What is the SMILES notation for N-[3-(difluoromethoxy)phenyl]-1-[2-(2-fluorophenoxy)acetyl]azetidine-3-carboxamide?
The canonical SMILES for N-[3-(difluoromethoxy)phenyl]-1-[2-(2-fluorophenoxy)acetyl]azetidine-3-carboxamide is O=C(Nc1cccc(OC(F)F)c1)C1CN(C(=O)COc2ccccc2F)C1.
What is the InChIKey of N-[3-(difluoromethoxy)phenyl]-1-[2-(2-fluorophenoxy)acetyl]azetidine-3-carboxamide?
The InChIKey is NUPCWNBNXIOSOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N2O4/c20-15-6-1-2-7-16(15)27-11-17(25)24-9-12(10-24)18(26)23-13-4-3-5-14(8-13)28-19(21)22/h1-8,12,19H,9-11H2,(H,23,26).
What are the key properties of N-[3-(difluoromethoxy)phenyl]-1-[2-(2-fluorophenoxy)acetyl]azetidine-3-carboxamide?
N-[3-(difluoromethoxy)phenyl]-1-[2-(2-fluorophenoxy)acetyl]azetidine-3-carboxamide has a molecular weight of 394.35 g/mol, XLogP of 2.90, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(difluoromethoxy)phenyl]-1-[2-(2-fluorophenoxy)acetyl]azetidine-3-carboxamide is sourced from PubChem (CID 71785377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).