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

C18H18FN3O3 — CID 71785363

IUPAC1-[2-(2-fluorophenoxy)acetyl]-N-(3-methyl-2-pyridinyl)azetidine-3-carboxamide
SMILESCc1cccnc1NC(=O)C1CN(C(=O)COc2ccccc2F)C1
InChIInChI=1S/C18H18FN3O3/c1-12-5-4-8-20-17(12)21-18(24)13-9-22(10-13)16(23)11-25-15-7-3-2-6-14(15)19/h2-8,13H,9-11H2,1H3,(H,20,21,24)
InChIKeyPMMMIYOASMAAER-UHFFFAOYSA-N
MW343.36 g/mol
LogP2.01
Rot. Bonds5

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

1-[2-(2-fluorophenoxy)acetyl]-N-(3-methyl-2-pyridinyl)azetidine-3-carboxamide (PubChem CID 71785363) has the molecular formula C18H18FN3O3 and a molecular weight of 343.36 g/mol. Its IUPAC name is 1-[2-(2-fluorophenoxy)acetyl]-N-(3-methyl-2-pyridinyl)azetidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(2-fluorophenoxy)acetyl]-N-(3-methyl-2-pyridinyl)azetidine-3-carboxamide
PubChem CID71785363
Molecular FormulaC18H18FN3O3
Molecular Weight343.36 g/mol
Exact Mass343.13
IUPAC Name1-[2-(2-fluorophenoxy)acetyl]-N-(3-methyl-2-pyridinyl)azetidine-3-carboxamide
SMILESCc1cccnc1NC(=O)C1CN(C(=O)COc2ccccc2F)C1
InChIInChI=1S/C18H18FN3O3/c1-12-5-4-8-20-17(12)21-18(24)13-9-22(10-13)16(23)11-25-15-7-3-2-6-14(15)19/h2-8,13H,9-11H2,1H3,(H,20,21,24)
InChIKeyPMMMIYOASMAAER-UHFFFAOYSA-N
XLogP2.01
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.36
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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
1-[2-(2-fluorophenoxy)acetyl]-N-(5-methyl-1,2-oxazol-3-yl)azetidine-3-carboxamide
CID 90512577
1-[2-(2-fluorophenoxy)acetyl]-N-(3-methyl-1,2-thiazol-5-yl)azetidine-3-carboxamide
CID 90512648
1-[2-(2-fluorophenoxy)acetyl]-N-(pyridin-2-ylmethyl)azetidine-3-carboxamide
CID 90512452
N-(2-chloro-4-pyridinyl)-1-[2-(2-fluorophenoxy)acetyl]azetidine-3-carboxamide
CID 90512654
1-[2-(2-fluorophenoxy)acetyl]-N-naphthalen-1-ylazetidine-3-carboxamide
CID 90512523
(3S)-1-[2-(2-fluorophenoxy)acetyl]-N-pyridin-2-ylpyrrolidine-3-carboxamide
CID 92633338
N-(1,3-benzothiazol-2-yl)-1-[2-(2-fluorophenoxy)acetyl]azetidine-3-carboxamide
CID 90512571
1-[2-(2-fluorophenoxy)acetyl]-N-[(4-methylphenyl)methyl]azetidine-3-carboxamide
CID 90512446
N-(2,5-dichlorophenyl)-1-[2-(2-fluorophenoxy)acetyl]azetidine-3-carboxamide
CID 90512527
N-[3-(difluoromethoxy)phenyl]-1-[2-(2-fluorophenoxy)acetyl]azetidine-3-carboxamide
CID 71785377

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-fluorophenoxy)acetyl]-N-(3-methyl-2-pyridinyl)azetidine-3-carboxamide?
The IUPAC name of 1-[2-(2-fluorophenoxy)acetyl]-N-(3-methyl-2-pyridinyl)azetidine-3-carboxamide (CID 71785363) is 1-[2-(2-fluorophenoxy)acetyl]-N-(3-methyl-2-pyridinyl)azetidine-3-carboxamide.
What is the SMILES notation for 1-[2-(2-fluorophenoxy)acetyl]-N-(3-methyl-2-pyridinyl)azetidine-3-carboxamide?
The canonical SMILES for 1-[2-(2-fluorophenoxy)acetyl]-N-(3-methyl-2-pyridinyl)azetidine-3-carboxamide is Cc1cccnc1NC(=O)C1CN(C(=O)COc2ccccc2F)C1.
What is the InChIKey of 1-[2-(2-fluorophenoxy)acetyl]-N-(3-methyl-2-pyridinyl)azetidine-3-carboxamide?
The InChIKey is PMMMIYOASMAAER-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O3/c1-12-5-4-8-20-17(12)21-18(24)13-9-22(10-13)16(23)11-25-15-7-3-2-6-14(15)19/h2-8,13H,9-11H2,1H3,(H,20,21,24).
What are the key properties of 1-[2-(2-fluorophenoxy)acetyl]-N-(3-methyl-2-pyridinyl)azetidine-3-carboxamide?
1-[2-(2-fluorophenoxy)acetyl]-N-(3-methyl-2-pyridinyl)azetidine-3-carboxamide has a molecular weight of 343.36 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-fluorophenoxy)acetyl]-N-(3-methyl-2-pyridinyl)azetidine-3-carboxamide is sourced from PubChem (CID 71785363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).