1-[2-(2-fluorophenoxy)acetyl]-N-[(4-methylphenyl)methyl]azetidine-3-carboxamide

C20H21FN2O3 — CID 90512446

IUPAC1-[2-(2-fluorophenoxy)acetyl]-N-[(4-methylphenyl)methyl]azetidine-3-carboxamide
SMILESCc1ccc(CNC(=O)C2CN(C(=O)COc3ccccc3F)C2)cc1
InChIInChI=1S/C20H21FN2O3/c1-14-6-8-15(9-7-14)10-22-20(25)16-11-23(12-16)19(24)13-26-18-5-3-2-4-17(18)21/h2-9,16H,10-13H2,1H3,(H,22,25)
InChIKeySWTLRCHIUYKOQD-UHFFFAOYSA-N
MW356.40 g/mol
LogP2.29
Rot. Bonds6

About 1-[2-(2-fluorophenoxy)acetyl]-N-[(4-methylphenyl)methyl]azetidine-3-carboxamide

1-[2-(2-fluorophenoxy)acetyl]-N-[(4-methylphenyl)methyl]azetidine-3-carboxamide (PubChem CID 90512446) has the molecular formula C20H21FN2O3 and a molecular weight of 356.40 g/mol. Its IUPAC name is 1-[2-(2-fluorophenoxy)acetyl]-N-[(4-methylphenyl)methyl]azetidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(2-fluorophenoxy)acetyl]-N-[(4-methylphenyl)methyl]azetidine-3-carboxamide
PubChem CID90512446
Molecular FormulaC20H21FN2O3
Molecular Weight356.40 g/mol
Exact Mass356.15
IUPAC Name1-[2-(2-fluorophenoxy)acetyl]-N-[(4-methylphenyl)methyl]azetidine-3-carboxamide
SMILESCc1ccc(CNC(=O)C2CN(C(=O)COc3ccccc3F)C2)cc1
InChIInChI=1S/C20H21FN2O3/c1-14-6-8-15(9-7-14)10-22-20(25)16-11-23(12-16)19(24)13-26-18-5-3-2-4-17(18)21/h2-9,16H,10-13H2,1H3,(H,22,25)
InChIKeySWTLRCHIUYKOQD-UHFFFAOYSA-N
XLogP2.29
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2-fluorophenoxy)acetyl]-N-(pyridin-2-ylmethyl)azetidine-3-carboxamide
CID 90512452
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[2-(2-fluorophenoxy)acetyl]azetidine-3-carboxamide
CID 90512454
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-[(2S)-4-phenylbutan-2-yl]azetidine-3-carboxamide
CID 95367688
1-[2-(2-fluorophenoxy)acetyl]-N-naphthalen-1-ylazetidine-3-carboxamide
CID 90512523
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-(3-methyl-1,2-thiazol-5-yl)azetidine-3-carboxamide
CID 90512648
1-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-2-(2-fluorophenoxy)ethanone
CID 124589814
2-[1-[2-(2-fluorophenoxy)acetyl]azetidin-3-yl]acetic acid
CID 64604597
N-(2,5-dichlorophenyl)-1-[2-(2-fluorophenoxy)acetyl]azetidine-3-carboxamide
CID 90512527

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-fluorophenoxy)acetyl]-N-[(4-methylphenyl)methyl]azetidine-3-carboxamide?
The IUPAC name of 1-[2-(2-fluorophenoxy)acetyl]-N-[(4-methylphenyl)methyl]azetidine-3-carboxamide (CID 90512446) is 1-[2-(2-fluorophenoxy)acetyl]-N-[(4-methylphenyl)methyl]azetidine-3-carboxamide.
What is the SMILES notation for 1-[2-(2-fluorophenoxy)acetyl]-N-[(4-methylphenyl)methyl]azetidine-3-carboxamide?
The canonical SMILES for 1-[2-(2-fluorophenoxy)acetyl]-N-[(4-methylphenyl)methyl]azetidine-3-carboxamide is Cc1ccc(CNC(=O)C2CN(C(=O)COc3ccccc3F)C2)cc1.
What is the InChIKey of 1-[2-(2-fluorophenoxy)acetyl]-N-[(4-methylphenyl)methyl]azetidine-3-carboxamide?
The InChIKey is SWTLRCHIUYKOQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O3/c1-14-6-8-15(9-7-14)10-22-20(25)16-11-23(12-16)19(24)13-26-18-5-3-2-4-17(18)21/h2-9,16H,10-13H2,1H3,(H,22,25).
What are the key properties of 1-[2-(2-fluorophenoxy)acetyl]-N-[(4-methylphenyl)methyl]azetidine-3-carboxamide?
1-[2-(2-fluorophenoxy)acetyl]-N-[(4-methylphenyl)methyl]azetidine-3-carboxamide has a molecular weight of 356.40 g/mol, XLogP of 2.29, 6 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-[(4-methylphenyl)methyl]azetidine-3-carboxamide is sourced from PubChem (CID 90512446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).