N-(2-chloro-4-pyridinyl)-1-[2-(2-fluorophenoxy)acetyl]azetidine-3-carboxamide

C17H15ClFN3O3 — CID 90512654

IUPACN-(2-chloro-4-pyridinyl)-1-[2-(2-fluorophenoxy)acetyl]azetidine-3-carboxamide
SMILESO=C(Nc1ccnc(Cl)c1)C1CN(C(=O)COc2ccccc2F)C1
InChIInChI=1S/C17H15ClFN3O3/c18-15-7-12(5-6-20-15)21-17(24)11-8-22(9-11)16(23)10-25-14-4-2-1-3-13(14)19/h1-7,11H,8-10H2,(H,20,21,24)
InChIKeyUHVVAORVDVQZHO-UHFFFAOYSA-N
MW363.78 g/mol
LogP2.35
Rot. Bonds5

About N-(2-chloro-4-pyridinyl)-1-[2-(2-fluorophenoxy)acetyl]azetidine-3-carboxamide

N-(2-chloro-4-pyridinyl)-1-[2-(2-fluorophenoxy)acetyl]azetidine-3-carboxamide (PubChem CID 90512654) has the molecular formula C17H15ClFN3O3 and a molecular weight of 363.78 g/mol. Its IUPAC name is N-(2-chloro-4-pyridinyl)-1-[2-(2-fluorophenoxy)acetyl]azetidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-4-pyridinyl)-1-[2-(2-fluorophenoxy)acetyl]azetidine-3-carboxamide
PubChem CID90512654
Molecular FormulaC17H15ClFN3O3
Molecular Weight363.78 g/mol
Exact Mass363.08
IUPAC NameN-(2-chloro-4-pyridinyl)-1-[2-(2-fluorophenoxy)acetyl]azetidine-3-carboxamide
SMILESO=C(Nc1ccnc(Cl)c1)C1CN(C(=O)COc2ccccc2F)C1
InChIInChI=1S/C17H15ClFN3O3/c18-15-7-12(5-6-20-15)21-17(24)11-8-22(9-11)16(23)10-25-14-4-2-1-3-13(14)19/h1-7,11H,8-10H2,(H,20,21,24)
InChIKeyUHVVAORVDVQZHO-UHFFFAOYSA-N
XLogP2.35
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.78
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-(3,4-dimethylphenyl)-1-[2-(2-fluorophenoxy)acetyl]azetidine-3-carboxamide
CID 90512537
N-(4-acetamidophenyl)-1-[2-(2-fluorophenoxy)acetyl]azetidine-3-carboxamide
CID 90512660
N-[3-(difluoromethoxy)phenyl]-1-[2-(2-fluorophenoxy)acetyl]azetidine-3-carboxamide
CID 71785377
N-(2,5-dichlorophenyl)-1-[2-(2-fluorophenoxy)acetyl]azetidine-3-carboxamide
CID 90512527
1-[2-(2-fluorophenoxy)acetyl]-N-(3-methyl-1,2-thiazol-5-yl)azetidine-3-carboxamide
CID 90512648
1-[2-(2-fluorophenoxy)acetyl]-N-(3-methyl-2-pyridinyl)azetidine-3-carboxamide
CID 71785363
1-[2-(2-fluorophenoxy)acetyl]-N-(5-methyl-1,2-oxazol-3-yl)azetidine-3-carboxamide
CID 90512577
1-[2-(2-fluorophenoxy)acetyl]-N-naphthalen-1-ylazetidine-3-carboxamide
CID 90512523
N-(1,3-benzothiazol-2-yl)-1-[2-(2-fluorophenoxy)acetyl]azetidine-3-carboxamide
CID 90512571
1-[2-(2-fluorophenoxy)acetyl]-N-(pyridin-2-ylmethyl)azetidine-3-carboxamide
CID 90512452
(3S)-1-[2-(2-fluorophenoxy)acetyl]-N-pyridin-2-ylpyrrolidine-3-carboxamide
CID 92633338
1-[2-(2-fluorophenoxy)acetyl]-N-[(4-methylphenyl)methyl]azetidine-3-carboxamide
CID 90512446

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-pyridinyl)-1-[2-(2-fluorophenoxy)acetyl]azetidine-3-carboxamide?
The IUPAC name of N-(2-chloro-4-pyridinyl)-1-[2-(2-fluorophenoxy)acetyl]azetidine-3-carboxamide (CID 90512654) is N-(2-chloro-4-pyridinyl)-1-[2-(2-fluorophenoxy)acetyl]azetidine-3-carboxamide.
What is the SMILES notation for N-(2-chloro-4-pyridinyl)-1-[2-(2-fluorophenoxy)acetyl]azetidine-3-carboxamide?
The canonical SMILES for N-(2-chloro-4-pyridinyl)-1-[2-(2-fluorophenoxy)acetyl]azetidine-3-carboxamide is O=C(Nc1ccnc(Cl)c1)C1CN(C(=O)COc2ccccc2F)C1.
What is the InChIKey of N-(2-chloro-4-pyridinyl)-1-[2-(2-fluorophenoxy)acetyl]azetidine-3-carboxamide?
The InChIKey is UHVVAORVDVQZHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClFN3O3/c18-15-7-12(5-6-20-15)21-17(24)11-8-22(9-11)16(23)10-25-14-4-2-1-3-13(14)19/h1-7,11H,8-10H2,(H,20,21,24).
What are the key properties of N-(2-chloro-4-pyridinyl)-1-[2-(2-fluorophenoxy)acetyl]azetidine-3-carboxamide?
N-(2-chloro-4-pyridinyl)-1-[2-(2-fluorophenoxy)acetyl]azetidine-3-carboxamide has a molecular weight of 363.78 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-pyridinyl)-1-[2-(2-fluorophenoxy)acetyl]azetidine-3-carboxamide is sourced from PubChem (CID 90512654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).