N-(2,5-dichlorophenyl)-1-[2-(2-fluorophenoxy)acetyl]azetidine-3-carboxamide

C18H15Cl2FN2O3 — CID 90512527

IUPACN-(2,5-dichlorophenyl)-1-[2-(2-fluorophenoxy)acetyl]azetidine-3-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1Cl)C1CN(C(=O)COc2ccccc2F)C1
InChIInChI=1S/C18H15Cl2FN2O3/c19-12-5-6-13(20)15(7-12)22-18(25)11-8-23(9-11)17(24)10-26-16-4-2-1-3-14(16)21/h1-7,11H,8-10H2,(H,22,25)
InChIKeyRDZZYFBNKBJQRE-UHFFFAOYSA-N
MW397.23 g/mol
LogP3.61
Rot. Bonds5

About N-(2,5-dichlorophenyl)-1-[2-(2-fluorophenoxy)acetyl]azetidine-3-carboxamide

N-(2,5-dichlorophenyl)-1-[2-(2-fluorophenoxy)acetyl]azetidine-3-carboxamide (PubChem CID 90512527) has the molecular formula C18H15Cl2FN2O3 and a molecular weight of 397.23 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-1-[2-(2-fluorophenoxy)acetyl]azetidine-3-carboxamide.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-1-[2-(2-fluorophenoxy)acetyl]azetidine-3-carboxamide
PubChem CID90512527
Molecular FormulaC18H15Cl2FN2O3
Molecular Weight397.23 g/mol
Exact Mass396.04
IUPAC NameN-(2,5-dichlorophenyl)-1-[2-(2-fluorophenoxy)acetyl]azetidine-3-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1Cl)C1CN(C(=O)COc2ccccc2F)C1
InChIInChI=1S/C18H15Cl2FN2O3/c19-12-5-6-13(20)15(7-12)22-18(25)11-8-23(9-11)17(24)10-26-16-4-2-1-3-14(16)21/h1-7,11H,8-10H2,(H,22,25)
InChIKeyRDZZYFBNKBJQRE-UHFFFAOYSA-N
XLogP3.61
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.23
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2-fluorophenoxy)acetyl]-N-naphthalen-1-ylazetidine-3-carboxamide
CID 90512523
N-(2-chloro-4-pyridinyl)-1-[2-(2-fluorophenoxy)acetyl]azetidine-3-carboxamide
CID 90512654
N-(4-acetamidophenyl)-1-[2-(2-fluorophenoxy)acetyl]azetidine-3-carboxamide
CID 90512660
N-(3,4-dimethylphenyl)-1-[2-(2-fluorophenoxy)acetyl]azetidine-3-carboxamide
CID 90512537
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
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
N-(1,3-benzothiazol-2-yl)-1-[2-(2-fluorophenoxy)acetyl]azetidine-3-carboxamide
CID 90512571
1-[3-[4-(3,4-dichlorophenyl)piperazine-1-carbonyl]azetidin-1-yl]-2-(2-fluorophenoxy)ethanone
CID 90512620
1-[2-(2-fluorophenoxy)acetyl]-N-(pyridin-2-ylmethyl)azetidine-3-carboxamide
CID 90512452
1-[2-(2-fluorophenoxy)acetyl]-N-[(4-methylphenyl)methyl]azetidine-3-carboxamide
CID 90512446

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-1-[2-(2-fluorophenoxy)acetyl]azetidine-3-carboxamide?
The IUPAC name of N-(2,5-dichlorophenyl)-1-[2-(2-fluorophenoxy)acetyl]azetidine-3-carboxamide (CID 90512527) is N-(2,5-dichlorophenyl)-1-[2-(2-fluorophenoxy)acetyl]azetidine-3-carboxamide.
What is the SMILES notation for N-(2,5-dichlorophenyl)-1-[2-(2-fluorophenoxy)acetyl]azetidine-3-carboxamide?
The canonical SMILES for N-(2,5-dichlorophenyl)-1-[2-(2-fluorophenoxy)acetyl]azetidine-3-carboxamide is O=C(Nc1cc(Cl)ccc1Cl)C1CN(C(=O)COc2ccccc2F)C1.
What is the InChIKey of N-(2,5-dichlorophenyl)-1-[2-(2-fluorophenoxy)acetyl]azetidine-3-carboxamide?
The InChIKey is RDZZYFBNKBJQRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2FN2O3/c19-12-5-6-13(20)15(7-12)22-18(25)11-8-23(9-11)17(24)10-26-16-4-2-1-3-14(16)21/h1-7,11H,8-10H2,(H,22,25).
What are the key properties of N-(2,5-dichlorophenyl)-1-[2-(2-fluorophenoxy)acetyl]azetidine-3-carboxamide?
N-(2,5-dichlorophenyl)-1-[2-(2-fluorophenoxy)acetyl]azetidine-3-carboxamide has a molecular weight of 397.23 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichlorophenyl)-1-[2-(2-fluorophenoxy)acetyl]azetidine-3-carboxamide is sourced from PubChem (CID 90512527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).