3-(3-chloro-5-fluorophenyl)-N-(2-hydroxypropyl)azetidine-1-carboxamide

C13H16ClFN2O2 — CID 20744154

IUPAC3-(3-chloro-5-fluorophenyl)-N-(2-hydroxypropyl)azetidine-1-carboxamide
SMILESCC(O)CNC(=O)N1CC(c2cc(F)cc(Cl)c2)C1
InChIInChI=1S/C13H16ClFN2O2/c1-8(18)5-16-13(19)17-6-10(7-17)9-2-11(14)4-12(15)3-9/h2-4,8,10,18H,5-7H2,1H3,(H,16,19)
InChIKeyCRJRABYJVWJINF-UHFFFAOYSA-N
MW286.73 g/mol
LogP1.97
Rot. Bonds3

About 3-(3-chloro-5-fluorophenyl)-N-(2-hydroxypropyl)azetidine-1-carboxamide

3-(3-chloro-5-fluorophenyl)-N-(2-hydroxypropyl)azetidine-1-carboxamide (PubChem CID 20744154) has the molecular formula C13H16ClFN2O2 and a molecular weight of 286.73 g/mol. Its IUPAC name is 3-(3-chloro-5-fluorophenyl)-N-(2-hydroxypropyl)azetidine-1-carboxamide.

Molecular Properties

Compound Name3-(3-chloro-5-fluorophenyl)-N-(2-hydroxypropyl)azetidine-1-carboxamide
PubChem CID20744154
Molecular FormulaC13H16ClFN2O2
Molecular Weight286.73 g/mol
Exact Mass286.09
IUPAC Name3-(3-chloro-5-fluorophenyl)-N-(2-hydroxypropyl)azetidine-1-carboxamide
SMILESCC(O)CNC(=O)N1CC(c2cc(F)cc(Cl)c2)C1
InChIInChI=1S/C13H16ClFN2O2/c1-8(18)5-16-13(19)17-6-10(7-17)9-2-11(14)4-12(15)3-9/h2-4,8,10,18H,5-7H2,1H3,(H,16,19)
InChIKeyCRJRABYJVWJINF-UHFFFAOYSA-N
XLogP1.97
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.73
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-5-fluorophenyl)-N-(2-hydroxypropyl)azetidine-1-carboxamide?
The IUPAC name of 3-(3-chloro-5-fluorophenyl)-N-(2-hydroxypropyl)azetidine-1-carboxamide (CID 20744154) is 3-(3-chloro-5-fluorophenyl)-N-(2-hydroxypropyl)azetidine-1-carboxamide.
What is the SMILES notation for 3-(3-chloro-5-fluorophenyl)-N-(2-hydroxypropyl)azetidine-1-carboxamide?
The canonical SMILES for 3-(3-chloro-5-fluorophenyl)-N-(2-hydroxypropyl)azetidine-1-carboxamide is CC(O)CNC(=O)N1CC(c2cc(F)cc(Cl)c2)C1.
What is the InChIKey of 3-(3-chloro-5-fluorophenyl)-N-(2-hydroxypropyl)azetidine-1-carboxamide?
The InChIKey is CRJRABYJVWJINF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClFN2O2/c1-8(18)5-16-13(19)17-6-10(7-17)9-2-11(14)4-12(15)3-9/h2-4,8,10,18H,5-7H2,1H3,(H,16,19).
What are the key properties of 3-(3-chloro-5-fluorophenyl)-N-(2-hydroxypropyl)azetidine-1-carboxamide?
3-(3-chloro-5-fluorophenyl)-N-(2-hydroxypropyl)azetidine-1-carboxamide has a molecular weight of 286.73 g/mol, XLogP of 1.97, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-5-fluorophenyl)-N-(2-hydroxypropyl)azetidine-1-carboxamide is sourced from PubChem (CID 20744154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).