3-[(2-bromophenyl)methyl]-N-(4-fluorophenyl)-N-methylazetidine-1-carboxamide

C18H18BrFN2O — CID 166359337

IUPAC3-[(2-bromophenyl)methyl]-N-(4-fluorophenyl)-N-methylazetidine-1-carboxamide
SMILESCN(C(=O)N1CC(Cc2ccccc2Br)C1)c1ccc(F)cc1
InChIInChI=1S/C18H18BrFN2O/c1-21(16-8-6-15(20)7-9-16)18(23)22-11-13(12-22)10-14-4-2-3-5-17(14)19/h2-9,13H,10-12H2,1H3
InChIKeyBWPLEOGCVNZYDI-UHFFFAOYSA-N
MW377.26 g/mol
LogP4.32
Rot. Bonds3

About 3-[(2-bromophenyl)methyl]-N-(4-fluorophenyl)-N-methylazetidine-1-carboxamide

3-[(2-bromophenyl)methyl]-N-(4-fluorophenyl)-N-methylazetidine-1-carboxamide (PubChem CID 166359337) has the molecular formula C18H18BrFN2O and a molecular weight of 377.26 g/mol. Its IUPAC name is 3-[(2-bromophenyl)methyl]-N-(4-fluorophenyl)-N-methylazetidine-1-carboxamide.

Molecular Properties

Compound Name3-[(2-bromophenyl)methyl]-N-(4-fluorophenyl)-N-methylazetidine-1-carboxamide
PubChem CID166359337
Molecular FormulaC18H18BrFN2O
Molecular Weight377.26 g/mol
Exact Mass376.06
IUPAC Name3-[(2-bromophenyl)methyl]-N-(4-fluorophenyl)-N-methylazetidine-1-carboxamide
SMILESCN(C(=O)N1CC(Cc2ccccc2Br)C1)c1ccc(F)cc1
InChIInChI=1S/C18H18BrFN2O/c1-21(16-8-6-15(20)7-9-16)18(23)22-11-13(12-22)10-14-4-2-3-5-17(14)19/h2-9,13H,10-12H2,1H3
InChIKeyBWPLEOGCVNZYDI-UHFFFAOYSA-N
XLogP4.32
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.26
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-bromophenyl)methyl]-N-(4-fluorophenyl)-N-methylazetidine-1-carboxamide?
The IUPAC name of 3-[(2-bromophenyl)methyl]-N-(4-fluorophenyl)-N-methylazetidine-1-carboxamide (CID 166359337) is 3-[(2-bromophenyl)methyl]-N-(4-fluorophenyl)-N-methylazetidine-1-carboxamide.
What is the SMILES notation for 3-[(2-bromophenyl)methyl]-N-(4-fluorophenyl)-N-methylazetidine-1-carboxamide?
The canonical SMILES for 3-[(2-bromophenyl)methyl]-N-(4-fluorophenyl)-N-methylazetidine-1-carboxamide is CN(C(=O)N1CC(Cc2ccccc2Br)C1)c1ccc(F)cc1.
What is the InChIKey of 3-[(2-bromophenyl)methyl]-N-(4-fluorophenyl)-N-methylazetidine-1-carboxamide?
The InChIKey is BWPLEOGCVNZYDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrFN2O/c1-21(16-8-6-15(20)7-9-16)18(23)22-11-13(12-22)10-14-4-2-3-5-17(14)19/h2-9,13H,10-12H2,1H3.
What are the key properties of 3-[(2-bromophenyl)methyl]-N-(4-fluorophenyl)-N-methylazetidine-1-carboxamide?
3-[(2-bromophenyl)methyl]-N-(4-fluorophenyl)-N-methylazetidine-1-carboxamide has a molecular weight of 377.26 g/mol, XLogP of 4.32, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-bromophenyl)methyl]-N-(4-fluorophenyl)-N-methylazetidine-1-carboxamide is sourced from PubChem (CID 166359337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).