3-[(4-chlorophenyl)-[2-(trifluoromethyl)phenyl]methoxy]-N-(2,4-difluorophenyl)azetidine-1-carboxamide

C24H18ClF5N2O2 — CID 11191184

IUPAC3-[(4-chlorophenyl)-[2-(trifluoromethyl)phenyl]methoxy]-N-(2,4-difluorophenyl)azetidine-1-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)N1CC(OC(c2ccc(Cl)cc2)c2ccccc2C(F)(F)F)C1
InChIInChI=1S/C24H18ClF5N2O2/c25-15-7-5-14(6-8-15)22(18-3-1-2-4-19(18)24(28,29)30)34-17-12-32(13-17)23(33)31-21-10-9-16(26)11-20(21)27/h1-11,17,22H,12-13H2,(H,31,33)
InChIKeyKMEBSHNYDXSJOZ-UHFFFAOYSA-N
MW496.86 g/mol
LogP6.66
Rot. Bonds5

About 3-[(4-chlorophenyl)-[2-(trifluoromethyl)phenyl]methoxy]-N-(2,4-difluorophenyl)azetidine-1-carboxamide

3-[(4-chlorophenyl)-[2-(trifluoromethyl)phenyl]methoxy]-N-(2,4-difluorophenyl)azetidine-1-carboxamide (PubChem CID 11191184) has the molecular formula C24H18ClF5N2O2 and a molecular weight of 496.86 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)-[2-(trifluoromethyl)phenyl]methoxy]-N-(2,4-difluorophenyl)azetidine-1-carboxamide.

Molecular Properties

Compound Name3-[(4-chlorophenyl)-[2-(trifluoromethyl)phenyl]methoxy]-N-(2,4-difluorophenyl)azetidine-1-carboxamide
PubChem CID11191184
Molecular FormulaC24H18ClF5N2O2
Molecular Weight496.86 g/mol
Exact Mass496.10
IUPAC Name3-[(4-chlorophenyl)-[2-(trifluoromethyl)phenyl]methoxy]-N-(2,4-difluorophenyl)azetidine-1-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)N1CC(OC(c2ccc(Cl)cc2)c2ccccc2C(F)(F)F)C1
InChIInChI=1S/C24H18ClF5N2O2/c25-15-7-5-14(6-8-15)22(18-3-1-2-4-19(18)24(28,29)30)34-17-12-32(13-17)23(33)31-21-10-9-16(26)11-20(21)27/h1-11,17,22H,12-13H2,(H,31,33)
InChIKeyKMEBSHNYDXSJOZ-UHFFFAOYSA-N
XLogP6.66
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.86
LogP ≤ 56.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)-[2-(trifluoromethyl)phenyl]methoxy]-N-(2,4-difluorophenyl)azetidine-1-carboxamide?
The IUPAC name of 3-[(4-chlorophenyl)-[2-(trifluoromethyl)phenyl]methoxy]-N-(2,4-difluorophenyl)azetidine-1-carboxamide (CID 11191184) is 3-[(4-chlorophenyl)-[2-(trifluoromethyl)phenyl]methoxy]-N-(2,4-difluorophenyl)azetidine-1-carboxamide.
What is the SMILES notation for 3-[(4-chlorophenyl)-[2-(trifluoromethyl)phenyl]methoxy]-N-(2,4-difluorophenyl)azetidine-1-carboxamide?
The canonical SMILES for 3-[(4-chlorophenyl)-[2-(trifluoromethyl)phenyl]methoxy]-N-(2,4-difluorophenyl)azetidine-1-carboxamide is O=C(Nc1ccc(F)cc1F)N1CC(OC(c2ccc(Cl)cc2)c2ccccc2C(F)(F)F)C1.
What is the InChIKey of 3-[(4-chlorophenyl)-[2-(trifluoromethyl)phenyl]methoxy]-N-(2,4-difluorophenyl)azetidine-1-carboxamide?
The InChIKey is KMEBSHNYDXSJOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClF5N2O2/c25-15-7-5-14(6-8-15)22(18-3-1-2-4-19(18)24(28,29)30)34-17-12-32(13-17)23(33)31-21-10-9-16(26)11-20(21)27/h1-11,17,22H,12-13H2,(H,31,33).
What are the key properties of 3-[(4-chlorophenyl)-[2-(trifluoromethyl)phenyl]methoxy]-N-(2,4-difluorophenyl)azetidine-1-carboxamide?
3-[(4-chlorophenyl)-[2-(trifluoromethyl)phenyl]methoxy]-N-(2,4-difluorophenyl)azetidine-1-carboxamide has a molecular weight of 496.86 g/mol, XLogP of 6.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)-[2-(trifluoromethyl)phenyl]methoxy]-N-(2,4-difluorophenyl)azetidine-1-carboxamide is sourced from PubChem (CID 11191184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).