1-[[4-[(3,4-dichlorophenyl)methoxy]-2-fluorophenyl]methyl]azetidine-3-carboxylic acid

C18H16Cl2FNO3 — CID 59451849

IUPAC1-[[4-[(3,4-dichlorophenyl)methoxy]-2-fluorophenyl]methyl]azetidine-3-carboxylic acid
SMILESO=C(O)C1CN(Cc2ccc(OCc3ccc(Cl)c(Cl)c3)cc2F)C1
InChIInChI=1S/C18H16Cl2FNO3/c19-15-4-1-11(5-16(15)20)10-25-14-3-2-12(17(21)6-14)7-22-8-13(9-22)18(23)24/h1-6,13H,7-10H2,(H,23,24)
InChIKeyZQUQFQGNDHGASO-UHFFFAOYSA-N
MW384.23 g/mol
LogP4.23
Rot. Bonds6

About 1-[[4-[(3,4-dichlorophenyl)methoxy]-2-fluorophenyl]methyl]azetidine-3-carboxylic acid

1-[[4-[(3,4-dichlorophenyl)methoxy]-2-fluorophenyl]methyl]azetidine-3-carboxylic acid (PubChem CID 59451849) has the molecular formula C18H16Cl2FNO3 and a molecular weight of 384.23 g/mol. Its IUPAC name is 1-[[4-[(3,4-dichlorophenyl)methoxy]-2-fluorophenyl]methyl]azetidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[[4-[(3,4-dichlorophenyl)methoxy]-2-fluorophenyl]methyl]azetidine-3-carboxylic acid
PubChem CID59451849
Molecular FormulaC18H16Cl2FNO3
Molecular Weight384.23 g/mol
Exact Mass383.05
IUPAC Name1-[[4-[(3,4-dichlorophenyl)methoxy]-2-fluorophenyl]methyl]azetidine-3-carboxylic acid
SMILESO=C(O)C1CN(Cc2ccc(OCc3ccc(Cl)c(Cl)c3)cc2F)C1
InChIInChI=1S/C18H16Cl2FNO3/c19-15-4-1-11(5-16(15)20)10-25-14-3-2-12(17(21)6-14)7-22-8-13(9-22)18(23)24/h1-6,13H,7-10H2,(H,23,24)
InChIKeyZQUQFQGNDHGASO-UHFFFAOYSA-N
XLogP4.23
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.23
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[[4-[(3,4-dichlorophenyl)methoxy]-2-fluorophenyl]methyl]azetidine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[(3,4-dichlorophenyl)methoxy]-2-fluorophenyl]methyl]azetidine-3-carboxylic acid?
The IUPAC name of 1-[[4-[(3,4-dichlorophenyl)methoxy]-2-fluorophenyl]methyl]azetidine-3-carboxylic acid (CID 59451849) is 1-[[4-[(3,4-dichlorophenyl)methoxy]-2-fluorophenyl]methyl]azetidine-3-carboxylic acid.
What is the SMILES notation for 1-[[4-[(3,4-dichlorophenyl)methoxy]-2-fluorophenyl]methyl]azetidine-3-carboxylic acid?
The canonical SMILES for 1-[[4-[(3,4-dichlorophenyl)methoxy]-2-fluorophenyl]methyl]azetidine-3-carboxylic acid is O=C(O)C1CN(Cc2ccc(OCc3ccc(Cl)c(Cl)c3)cc2F)C1.
What is the InChIKey of 1-[[4-[(3,4-dichlorophenyl)methoxy]-2-fluorophenyl]methyl]azetidine-3-carboxylic acid?
The InChIKey is ZQUQFQGNDHGASO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2FNO3/c19-15-4-1-11(5-16(15)20)10-25-14-3-2-12(17(21)6-14)7-22-8-13(9-22)18(23)24/h1-6,13H,7-10H2,(H,23,24).
What are the key properties of 1-[[4-[(3,4-dichlorophenyl)methoxy]-2-fluorophenyl]methyl]azetidine-3-carboxylic acid?
1-[[4-[(3,4-dichlorophenyl)methoxy]-2-fluorophenyl]methyl]azetidine-3-carboxylic acid has a molecular weight of 384.23 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[(3,4-dichlorophenyl)methoxy]-2-fluorophenyl]methyl]azetidine-3-carboxylic acid is sourced from PubChem (CID 59451849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).