1-[2-(2-fluorophenoxy)acetyl]-N-(pyridin-2-ylmethyl)azetidine-3-carboxamide

C18H18FN3O3 — CID 90512452

IUPAC1-[2-(2-fluorophenoxy)acetyl]-N-(pyridin-2-ylmethyl)azetidine-3-carboxamide
SMILESO=C(NCc1ccccn1)C1CN(C(=O)COc2ccccc2F)C1
InChIInChI=1S/C18H18FN3O3/c19-15-6-1-2-7-16(15)25-12-17(23)22-10-13(11-22)18(24)21-9-14-5-3-4-8-20-14/h1-8,13H,9-12H2,(H,21,24)
InChIKeyRYZGGSMVUPDUPC-UHFFFAOYSA-N
MW343.36 g/mol
LogP1.37
Rot. Bonds6

About 1-[2-(2-fluorophenoxy)acetyl]-N-(pyridin-2-ylmethyl)azetidine-3-carboxamide

1-[2-(2-fluorophenoxy)acetyl]-N-(pyridin-2-ylmethyl)azetidine-3-carboxamide (PubChem CID 90512452) has the molecular formula C18H18FN3O3 and a molecular weight of 343.36 g/mol. Its IUPAC name is 1-[2-(2-fluorophenoxy)acetyl]-N-(pyridin-2-ylmethyl)azetidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(2-fluorophenoxy)acetyl]-N-(pyridin-2-ylmethyl)azetidine-3-carboxamide
PubChem CID90512452
Molecular FormulaC18H18FN3O3
Molecular Weight343.36 g/mol
Exact Mass343.13
IUPAC Name1-[2-(2-fluorophenoxy)acetyl]-N-(pyridin-2-ylmethyl)azetidine-3-carboxamide
SMILESO=C(NCc1ccccn1)C1CN(C(=O)COc2ccccc2F)C1
InChIInChI=1S/C18H18FN3O3/c19-15-6-1-2-7-16(15)25-12-17(23)22-10-13(11-22)18(24)21-9-14-5-3-4-8-20-14/h1-8,13H,9-12H2,(H,21,24)
InChIKeyRYZGGSMVUPDUPC-UHFFFAOYSA-N
XLogP1.37
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.36
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(2-fluorophenoxy)acetyl]-N-[(4-methylphenyl)methyl]azetidine-3-carboxamide
CID 90512446
1-[2-(2-fluorophenoxy)acetyl]-N-(3-methyl-2-pyridinyl)azetidine-3-carboxamide
CID 71785363
N-(1,3-benzothiazol-2-yl)-1-[2-(2-fluorophenoxy)acetyl]azetidine-3-carboxamide
CID 90512571
(3S)-1-[2-(2-fluorophenoxy)acetyl]-N-pyridin-2-ylpyrrolidine-3-carboxamide
CID 92633338
N-(4-acetamidophenyl)-1-[2-(2-fluorophenoxy)acetyl]azetidine-3-carboxamide
CID 90512660
N-(2-chloro-4-pyridinyl)-1-[2-(2-fluorophenoxy)acetyl]azetidine-3-carboxamide
CID 90512654
1-[2-(2-fluorophenoxy)acetyl]-N-(3-methyl-1,2-thiazol-5-yl)azetidine-3-carboxamide
CID 90512648
2-(2-fluorophenoxy)-1-[3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)azetidin-1-yl]ethanone
CID 56764735
1-[2-(2-fluorophenoxy)acetyl]-N-naphthalen-1-ylazetidine-3-carboxamide
CID 90512523
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[2-(2-fluorophenoxy)acetyl]azetidine-3-carboxamide
CID 90512454
1-[2-(2-fluorophenoxy)acetyl]-N-(5-methyl-1,2-oxazol-3-yl)azetidine-3-carboxamide
CID 90512577
1-[2-(2-fluorophenoxy)acetyl]-N-[(2S)-4-phenylbutan-2-yl]azetidine-3-carboxamide
CID 95367688

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-fluorophenoxy)acetyl]-N-(pyridin-2-ylmethyl)azetidine-3-carboxamide?
The IUPAC name of 1-[2-(2-fluorophenoxy)acetyl]-N-(pyridin-2-ylmethyl)azetidine-3-carboxamide (CID 90512452) is 1-[2-(2-fluorophenoxy)acetyl]-N-(pyridin-2-ylmethyl)azetidine-3-carboxamide.
What is the SMILES notation for 1-[2-(2-fluorophenoxy)acetyl]-N-(pyridin-2-ylmethyl)azetidine-3-carboxamide?
The canonical SMILES for 1-[2-(2-fluorophenoxy)acetyl]-N-(pyridin-2-ylmethyl)azetidine-3-carboxamide is O=C(NCc1ccccn1)C1CN(C(=O)COc2ccccc2F)C1.
What is the InChIKey of 1-[2-(2-fluorophenoxy)acetyl]-N-(pyridin-2-ylmethyl)azetidine-3-carboxamide?
The InChIKey is RYZGGSMVUPDUPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O3/c19-15-6-1-2-7-16(15)25-12-17(23)22-10-13(11-22)18(24)21-9-14-5-3-4-8-20-14/h1-8,13H,9-12H2,(H,21,24).
What are the key properties of 1-[2-(2-fluorophenoxy)acetyl]-N-(pyridin-2-ylmethyl)azetidine-3-carboxamide?
1-[2-(2-fluorophenoxy)acetyl]-N-(pyridin-2-ylmethyl)azetidine-3-carboxamide has a molecular weight of 343.36 g/mol, XLogP of 1.37, 6 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-(pyridin-2-ylmethyl)azetidine-3-carboxamide is sourced from PubChem (CID 90512452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).