N-butan-2-yl-3-[(4-fluorophenyl)-[2-(trifluoromethyl)phenyl]methoxy]azetidine-1-carboxamide

C22H24F4N2O2 — CID 11293171

IUPACN-butan-2-yl-3-[(4-fluorophenyl)-[2-(trifluoromethyl)phenyl]methoxy]azetidine-1-carboxamide
SMILESCCC(C)NC(=O)N1CC(OC(c2ccc(F)cc2)c2ccccc2C(F)(F)F)C1
InChIInChI=1S/C22H24F4N2O2/c1-3-14(2)27-21(29)28-12-17(13-28)30-20(15-8-10-16(23)11-9-15)18-6-4-5-7-19(18)22(24,25)26/h4-11,14,17,20H,3,12-13H2,1-2H3,(H,27,29)
InChIKeyOGDZECLEZAVEGM-UHFFFAOYSA-N
MW424.44 g/mol
LogP5.14
Rot. Bonds6

About N-butan-2-yl-3-[(4-fluorophenyl)-[2-(trifluoromethyl)phenyl]methoxy]azetidine-1-carboxamide

N-butan-2-yl-3-[(4-fluorophenyl)-[2-(trifluoromethyl)phenyl]methoxy]azetidine-1-carboxamide (PubChem CID 11293171) has the molecular formula C22H24F4N2O2 and a molecular weight of 424.44 g/mol. Its IUPAC name is N-butan-2-yl-3-[(4-fluorophenyl)-[2-(trifluoromethyl)phenyl]methoxy]azetidine-1-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-3-[(4-fluorophenyl)-[2-(trifluoromethyl)phenyl]methoxy]azetidine-1-carboxamide
PubChem CID11293171
Molecular FormulaC22H24F4N2O2
Molecular Weight424.44 g/mol
Exact Mass424.18
IUPAC NameN-butan-2-yl-3-[(4-fluorophenyl)-[2-(trifluoromethyl)phenyl]methoxy]azetidine-1-carboxamide
SMILESCCC(C)NC(=O)N1CC(OC(c2ccc(F)cc2)c2ccccc2C(F)(F)F)C1
InChIInChI=1S/C22H24F4N2O2/c1-3-14(2)27-21(29)28-12-17(13-28)30-20(15-8-10-16(23)11-9-15)18-6-4-5-7-19(18)22(24,25)26/h4-11,14,17,20H,3,12-13H2,1-2H3,(H,27,29)
InChIKeyOGDZECLEZAVEGM-UHFFFAOYSA-N
XLogP5.14
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.44
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-[(4-fluorophenyl)-[2-(trifluoromethyl)phenyl]methoxy]azetidine-1-carboxamide?
The IUPAC name of N-butan-2-yl-3-[(4-fluorophenyl)-[2-(trifluoromethyl)phenyl]methoxy]azetidine-1-carboxamide (CID 11293171) is N-butan-2-yl-3-[(4-fluorophenyl)-[2-(trifluoromethyl)phenyl]methoxy]azetidine-1-carboxamide.
What is the SMILES notation for N-butan-2-yl-3-[(4-fluorophenyl)-[2-(trifluoromethyl)phenyl]methoxy]azetidine-1-carboxamide?
The canonical SMILES for N-butan-2-yl-3-[(4-fluorophenyl)-[2-(trifluoromethyl)phenyl]methoxy]azetidine-1-carboxamide is CCC(C)NC(=O)N1CC(OC(c2ccc(F)cc2)c2ccccc2C(F)(F)F)C1.
What is the InChIKey of N-butan-2-yl-3-[(4-fluorophenyl)-[2-(trifluoromethyl)phenyl]methoxy]azetidine-1-carboxamide?
The InChIKey is OGDZECLEZAVEGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F4N2O2/c1-3-14(2)27-21(29)28-12-17(13-28)30-20(15-8-10-16(23)11-9-15)18-6-4-5-7-19(18)22(24,25)26/h4-11,14,17,20H,3,12-13H2,1-2H3,(H,27,29).
What are the key properties of N-butan-2-yl-3-[(4-fluorophenyl)-[2-(trifluoromethyl)phenyl]methoxy]azetidine-1-carboxamide?
N-butan-2-yl-3-[(4-fluorophenyl)-[2-(trifluoromethyl)phenyl]methoxy]azetidine-1-carboxamide has a molecular weight of 424.44 g/mol, XLogP of 5.14, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-[(4-fluorophenyl)-[2-(trifluoromethyl)phenyl]methoxy]azetidine-1-carboxamide is sourced from PubChem (CID 11293171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).