1-[2-(2-fluorophenoxy)acetyl]-N-naphthalen-1-ylazetidine-3-carboxamide

C22H19FN2O3 — CID 90512523

IUPAC1-[2-(2-fluorophenoxy)acetyl]-N-naphthalen-1-ylazetidine-3-carboxamide
SMILESO=C(Nc1cccc2ccccc12)C1CN(C(=O)COc2ccccc2F)C1
InChIInChI=1S/C22H19FN2O3/c23-18-9-3-4-11-20(18)28-14-21(26)25-12-16(13-25)22(27)24-19-10-5-7-15-6-1-2-8-17(15)19/h1-11,16H,12-14H2,(H,24,27)
InChIKeyNOOASFSWRXBVQX-UHFFFAOYSA-N
MW378.40 g/mol
LogP3.45
Rot. Bonds5

About 1-[2-(2-fluorophenoxy)acetyl]-N-naphthalen-1-ylazetidine-3-carboxamide

1-[2-(2-fluorophenoxy)acetyl]-N-naphthalen-1-ylazetidine-3-carboxamide (PubChem CID 90512523) has the molecular formula C22H19FN2O3 and a molecular weight of 378.40 g/mol. Its IUPAC name is 1-[2-(2-fluorophenoxy)acetyl]-N-naphthalen-1-ylazetidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(2-fluorophenoxy)acetyl]-N-naphthalen-1-ylazetidine-3-carboxamide
PubChem CID90512523
Molecular FormulaC22H19FN2O3
Molecular Weight378.40 g/mol
Exact Mass378.14
IUPAC Name1-[2-(2-fluorophenoxy)acetyl]-N-naphthalen-1-ylazetidine-3-carboxamide
SMILESO=C(Nc1cccc2ccccc12)C1CN(C(=O)COc2ccccc2F)C1
InChIInChI=1S/C22H19FN2O3/c23-18-9-3-4-11-20(18)28-14-21(26)25-12-16(13-25)22(27)24-19-10-5-7-15-6-1-2-8-17(15)19/h1-11,16H,12-14H2,(H,24,27)
InChIKeyNOOASFSWRXBVQX-UHFFFAOYSA-N
XLogP3.45
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.40
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,5-dichlorophenyl)-1-[2-(2-fluorophenoxy)acetyl]azetidine-3-carboxamide
CID 90512527
N-(4-acetamidophenyl)-1-[2-(2-fluorophenoxy)acetyl]azetidine-3-carboxamide
CID 90512660
N-(1,3-benzothiazol-2-yl)-1-[2-(2-fluorophenoxy)acetyl]azetidine-3-carboxamide
CID 90512571
1-[2-(2-fluorophenoxy)acetyl]-N-(5-methyl-1,2-oxazol-3-yl)azetidine-3-carboxamide
CID 90512577
N-[3-(difluoromethoxy)phenyl]-1-[2-(2-fluorophenoxy)acetyl]azetidine-3-carboxamide
CID 71785377
N-(3,4-dimethylphenyl)-1-[2-(2-fluorophenoxy)acetyl]azetidine-3-carboxamide
CID 90512537
1-[2-(2-fluorophenoxy)acetyl]-N-(3-methyl-2-pyridinyl)azetidine-3-carboxamide
CID 71785363
1-[2-(2-fluorophenoxy)acetyl]-N-[(4-methylphenyl)methyl]azetidine-3-carboxamide
CID 90512446
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
1-[2-(2-fluorophenoxy)acetyl]-N-(pyridin-2-ylmethyl)azetidine-3-carboxamide
CID 90512452
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-naphthalen-1-ylazetidine-3-carboxamide?
The IUPAC name of 1-[2-(2-fluorophenoxy)acetyl]-N-naphthalen-1-ylazetidine-3-carboxamide (CID 90512523) is 1-[2-(2-fluorophenoxy)acetyl]-N-naphthalen-1-ylazetidine-3-carboxamide.
What is the SMILES notation for 1-[2-(2-fluorophenoxy)acetyl]-N-naphthalen-1-ylazetidine-3-carboxamide?
The canonical SMILES for 1-[2-(2-fluorophenoxy)acetyl]-N-naphthalen-1-ylazetidine-3-carboxamide is O=C(Nc1cccc2ccccc12)C1CN(C(=O)COc2ccccc2F)C1.
What is the InChIKey of 1-[2-(2-fluorophenoxy)acetyl]-N-naphthalen-1-ylazetidine-3-carboxamide?
The InChIKey is NOOASFSWRXBVQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN2O3/c23-18-9-3-4-11-20(18)28-14-21(26)25-12-16(13-25)22(27)24-19-10-5-7-15-6-1-2-8-17(15)19/h1-11,16H,12-14H2,(H,24,27).
What are the key properties of 1-[2-(2-fluorophenoxy)acetyl]-N-naphthalen-1-ylazetidine-3-carboxamide?
1-[2-(2-fluorophenoxy)acetyl]-N-naphthalen-1-ylazetidine-3-carboxamide has a molecular weight of 378.40 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-fluorophenoxy)acetyl]-N-naphthalen-1-ylazetidine-3-carboxamide is sourced from PubChem (CID 90512523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).