[2-(3-aminopropoxy)-5-fluorophenyl]-[2-(3-methoxyphenyl)azetidin-1-yl]methanone

C20H23FN2O3 — CID 118767196

IUPAC[2-(3-aminopropoxy)-5-fluorophenyl]-[2-(3-methoxyphenyl)azetidin-1-yl]methanone
SMILESCOc1cccc(C2CCN2C(=O)c2cc(F)ccc2OCCCN)c1
InChIInChI=1S/C20H23FN2O3/c1-25-16-5-2-4-14(12-16)18-8-10-23(18)20(24)17-13-15(21)6-7-19(17)26-11-3-9-22/h2,4-7,12-13,18H,3,8-11,22H2,1H3
InChIKeyBOKICXOOKWOESV-UHFFFAOYSA-N
MW358.41 g/mol
LogP3.15
Rot. Bonds7

About [2-(3-aminopropoxy)-5-fluorophenyl]-[2-(3-methoxyphenyl)azetidin-1-yl]methanone

[2-(3-aminopropoxy)-5-fluorophenyl]-[2-(3-methoxyphenyl)azetidin-1-yl]methanone (PubChem CID 118767196) has the molecular formula C20H23FN2O3 and a molecular weight of 358.41 g/mol. Its IUPAC name is [2-(3-aminopropoxy)-5-fluorophenyl]-[2-(3-methoxyphenyl)azetidin-1-yl]methanone.

Molecular Properties

Compound Name[2-(3-aminopropoxy)-5-fluorophenyl]-[2-(3-methoxyphenyl)azetidin-1-yl]methanone
PubChem CID118767196
Molecular FormulaC20H23FN2O3
Molecular Weight358.41 g/mol
Exact Mass358.17
IUPAC Name[2-(3-aminopropoxy)-5-fluorophenyl]-[2-(3-methoxyphenyl)azetidin-1-yl]methanone
SMILESCOc1cccc(C2CCN2C(=O)c2cc(F)ccc2OCCCN)c1
InChIInChI=1S/C20H23FN2O3/c1-25-16-5-2-4-14(12-16)18-8-10-23(18)20(24)17-13-15(21)6-7-19(17)26-11-3-9-22/h2,4-7,12-13,18H,3,8-11,22H2,1H3
InChIKeyBOKICXOOKWOESV-UHFFFAOYSA-N
XLogP3.15
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.41
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[2-(3-aminopropoxy)-5-fluorophenyl]-[(2S)-2-pyridin-3-ylpiperidin-1-yl]methanone
CID 126449120
[2-(2-aminoethoxy)-5-fluorophenyl]-[(2S)-2-(3-fluorophenyl)azepan-1-yl]methanone
CID 126444823
4-fluoro-3-[(2R)-2-(3-methoxyphenyl)azetidine-1-carbonyl]benzenesulfonamide
CID 97112057
[2-(3-aminopropoxy)-5-fluorophenyl]-[2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methanone
CID 118785190
(2-methoxyphenyl)-[2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 78834014
(2S)-1-[2-(3-aminopropoxy)-5-fluorobenzoyl]-N-methylpiperidine-2-carboxamide
CID 125163469
(1,5-dimethylpyrrol-2-yl)-[(2S)-2-(3-methoxyphenyl)azetidin-1-yl]methanone
CID 99928860
(1,5-dimethylpyrrol-2-yl)-[(2R)-2-(3-methoxyphenyl)azetidin-1-yl]methanone
CID 99928859
[2-(3-aminopropoxy)-5-methoxyphenyl]-[3-(2-fluorophenoxy)azetidin-1-yl]methanone
CID 118792922
(6-fluoro-2-methylquinolin-3-yl)-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 92627940
7-fluoro-4-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]-1H-quinolin-2-one
CID 70756728
[2-(3-aminopropoxy)-5-fluorophenyl]-(4-cyclohexylpiperazin-1-yl)methanone
CID 118775958

Frequently Asked Questions

What is the IUPAC name of [2-(3-aminopropoxy)-5-fluorophenyl]-[2-(3-methoxyphenyl)azetidin-1-yl]methanone?
The IUPAC name of [2-(3-aminopropoxy)-5-fluorophenyl]-[2-(3-methoxyphenyl)azetidin-1-yl]methanone (CID 118767196) is [2-(3-aminopropoxy)-5-fluorophenyl]-[2-(3-methoxyphenyl)azetidin-1-yl]methanone.
What is the SMILES notation for [2-(3-aminopropoxy)-5-fluorophenyl]-[2-(3-methoxyphenyl)azetidin-1-yl]methanone?
The canonical SMILES for [2-(3-aminopropoxy)-5-fluorophenyl]-[2-(3-methoxyphenyl)azetidin-1-yl]methanone is COc1cccc(C2CCN2C(=O)c2cc(F)ccc2OCCCN)c1.
What is the InChIKey of [2-(3-aminopropoxy)-5-fluorophenyl]-[2-(3-methoxyphenyl)azetidin-1-yl]methanone?
The InChIKey is BOKICXOOKWOESV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O3/c1-25-16-5-2-4-14(12-16)18-8-10-23(18)20(24)17-13-15(21)6-7-19(17)26-11-3-9-22/h2,4-7,12-13,18H,3,8-11,22H2,1H3.
What are the key properties of [2-(3-aminopropoxy)-5-fluorophenyl]-[2-(3-methoxyphenyl)azetidin-1-yl]methanone?
[2-(3-aminopropoxy)-5-fluorophenyl]-[2-(3-methoxyphenyl)azetidin-1-yl]methanone has a molecular weight of 358.41 g/mol, XLogP of 3.15, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-aminopropoxy)-5-fluorophenyl]-[2-(3-methoxyphenyl)azetidin-1-yl]methanone is sourced from PubChem (CID 118767196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).