(2R)-1-[[5-chloro-2-(4-fluorophenyl)phenyl]carbamoyl]azetidine-2-carboxylic acid

C17H14ClFN2O3 — CID 86287935

IUPAC(2R)-1-[[5-chloro-2-(4-fluorophenyl)phenyl]carbamoyl]azetidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCN1C(=O)Nc1cc(Cl)ccc1-c1ccc(F)cc1
InChIInChI=1S/C17H14ClFN2O3/c18-11-3-6-13(10-1-4-12(19)5-2-10)14(9-11)20-17(24)21-8-7-15(21)16(22)23/h1-6,9,15H,7-8H2,(H,20,24)(H,22,23)/t15-/m1/s1
InChIKeyBIVHSQAZWPQMKD-OAHLLOKOSA-N
MW348.76 g/mol
LogP3.84
Rot. Bonds3

About (2R)-1-[[5-chloro-2-(4-fluorophenyl)phenyl]carbamoyl]azetidine-2-carboxylic acid

(2R)-1-[[5-chloro-2-(4-fluorophenyl)phenyl]carbamoyl]azetidine-2-carboxylic acid (PubChem CID 86287935) has the molecular formula C17H14ClFN2O3 and a molecular weight of 348.76 g/mol. Its IUPAC name is (2R)-1-[[5-chloro-2-(4-fluorophenyl)phenyl]carbamoyl]azetidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-[[5-chloro-2-(4-fluorophenyl)phenyl]carbamoyl]azetidine-2-carboxylic acid
PubChem CID86287935
Molecular FormulaC17H14ClFN2O3
Molecular Weight348.76 g/mol
Exact Mass348.07
IUPAC Name(2R)-1-[[5-chloro-2-(4-fluorophenyl)phenyl]carbamoyl]azetidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCN1C(=O)Nc1cc(Cl)ccc1-c1ccc(F)cc1
InChIInChI=1S/C17H14ClFN2O3/c18-11-3-6-13(10-1-4-12(19)5-2-10)14(9-11)20-17(24)21-8-7-15(21)16(22)23/h1-6,9,15H,7-8H2,(H,20,24)(H,22,23)/t15-/m1/s1
InChIKeyBIVHSQAZWPQMKD-OAHLLOKOSA-N
XLogP3.84
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.76
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[[5-chloro-2-(4-fluorophenyl)phenyl]carbamoyl]azetidine-2-carboxylic acid?
The IUPAC name of (2R)-1-[[5-chloro-2-(4-fluorophenyl)phenyl]carbamoyl]azetidine-2-carboxylic acid (CID 86287935) is (2R)-1-[[5-chloro-2-(4-fluorophenyl)phenyl]carbamoyl]azetidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-[[5-chloro-2-(4-fluorophenyl)phenyl]carbamoyl]azetidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-[[5-chloro-2-(4-fluorophenyl)phenyl]carbamoyl]azetidine-2-carboxylic acid is O=C(O)[C@H]1CCN1C(=O)Nc1cc(Cl)ccc1-c1ccc(F)cc1.
What is the InChIKey of (2R)-1-[[5-chloro-2-(4-fluorophenyl)phenyl]carbamoyl]azetidine-2-carboxylic acid?
The InChIKey is BIVHSQAZWPQMKD-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H14ClFN2O3/c18-11-3-6-13(10-1-4-12(19)5-2-10)14(9-11)20-17(24)21-8-7-15(21)16(22)23/h1-6,9,15H,7-8H2,(H,20,24)(H,22,23)/t15-/m1/s1.
What are the key properties of (2R)-1-[[5-chloro-2-(4-fluorophenyl)phenyl]carbamoyl]azetidine-2-carboxylic acid?
(2R)-1-[[5-chloro-2-(4-fluorophenyl)phenyl]carbamoyl]azetidine-2-carboxylic acid has a molecular weight of 348.76 g/mol, XLogP of 3.84, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[[5-chloro-2-(4-fluorophenyl)phenyl]carbamoyl]azetidine-2-carboxylic acid is sourced from PubChem (CID 86287935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).