N-[1-[4-[1-(4-ethoxyphenyl)azetidin-3-yl]oxyphenyl]ethyl]-2-fluoroacetamide

C21H25FN2O3 — CID 123494254

IUPACN-[1-[4-[1-(4-ethoxyphenyl)azetidin-3-yl]oxyphenyl]ethyl]-2-fluoroacetamide
SMILESCCOc1ccc(N2CC(Oc3ccc(C(C)NC(=O)CF)cc3)C2)cc1
InChIInChI=1S/C21H25FN2O3/c1-3-26-18-10-6-17(7-11-18)24-13-20(14-24)27-19-8-4-16(5-9-19)15(2)23-21(25)12-22/h4-11,15,20H,3,12-14H2,1-2H3,(H,23,25)
InChIKeySHOZCEYORWTAHX-UHFFFAOYSA-N
MW372.44 g/mol
LogP3.50
Rot. Bonds8

About N-[1-[4-[1-(4-ethoxyphenyl)azetidin-3-yl]oxyphenyl]ethyl]-2-fluoroacetamide

N-[1-[4-[1-(4-ethoxyphenyl)azetidin-3-yl]oxyphenyl]ethyl]-2-fluoroacetamide (PubChem CID 123494254) has the molecular formula C21H25FN2O3 and a molecular weight of 372.44 g/mol. Its IUPAC name is N-[1-[4-[1-(4-ethoxyphenyl)azetidin-3-yl]oxyphenyl]ethyl]-2-fluoroacetamide.

Molecular Properties

Compound NameN-[1-[4-[1-(4-ethoxyphenyl)azetidin-3-yl]oxyphenyl]ethyl]-2-fluoroacetamide
PubChem CID123494254
Molecular FormulaC21H25FN2O3
Molecular Weight372.44 g/mol
Exact Mass372.18
IUPAC NameN-[1-[4-[1-(4-ethoxyphenyl)azetidin-3-yl]oxyphenyl]ethyl]-2-fluoroacetamide
SMILESCCOc1ccc(N2CC(Oc3ccc(C(C)NC(=O)CF)cc3)C2)cc1
InChIInChI=1S/C21H25FN2O3/c1-3-26-18-10-6-17(7-11-18)24-13-20(14-24)27-19-8-4-16(5-9-19)15(2)23-21(25)12-22/h4-11,15,20H,3,12-14H2,1-2H3,(H,23,25)
InChIKeySHOZCEYORWTAHX-UHFFFAOYSA-N
XLogP3.50
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.44
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

methyl N-[1-[4-[1-(4-ethoxyphenyl)azetidin-3-yl]oxyphenyl]ethyl]carbamate
CID 78136916
N-[1-[4-[1-(4-ethoxyphenyl)azetidin-3-yl]oxyphenyl]ethyl]-3-methoxycyclobutane-1-carboxamide
CID 123286247
N-[1-[4-[1-(4-ethoxyphenyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide
CID 123377438
N-[1-[4-[1-(3-ethoxyphenyl)azetidin-3-yl]oxyphenyl]ethyl]acetamide
CID 123555174
3-[(1S)-1-[4-[1-(4-cyclopropyloxyphenyl)azetidin-3-yl]oxyphenyl]ethyl]-1,1-dimethylurea
CID 71622992
N-[(1S)-1-[4-[1-[4-(3-fluoropropoxy)phenyl]pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide
CID 118473437
2-[4-[1-(4-ethoxyphenyl)pyrrolidin-3-yl]oxyphenyl]-N-ethylpropanamide
CID 123697575
(3R)-3-[4-[1-(4-ethoxyphenyl)azetidin-3-yl]oxyphenyl]-1-(1,2-thiazol-5-yl)butan-1-one
CID 152814463
N-[1-[4-[1-(6-ethoxypyrimidin-4-yl)azetidin-3-yl]oxyphenyl]ethyl]acetamide
CID 123494234
N-[1-[4-[1-[4-(difluoromethoxy)phenyl]pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide
CID 123762188
N-[(1S)-1-[4-[1-(4-ethoxy-2-fluorophenyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide
CID 118473436
2-(dimethylamino)-N-[(1S)-1-[4-[1-(4-ethoxyphenyl)piperidin-4-yl]phenyl]ethyl]acetamide
CID 67970711

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-[1-(4-ethoxyphenyl)azetidin-3-yl]oxyphenyl]ethyl]-2-fluoroacetamide?
The IUPAC name of N-[1-[4-[1-(4-ethoxyphenyl)azetidin-3-yl]oxyphenyl]ethyl]-2-fluoroacetamide (CID 123494254) is N-[1-[4-[1-(4-ethoxyphenyl)azetidin-3-yl]oxyphenyl]ethyl]-2-fluoroacetamide.
What is the SMILES notation for N-[1-[4-[1-(4-ethoxyphenyl)azetidin-3-yl]oxyphenyl]ethyl]-2-fluoroacetamide?
The canonical SMILES for N-[1-[4-[1-(4-ethoxyphenyl)azetidin-3-yl]oxyphenyl]ethyl]-2-fluoroacetamide is CCOc1ccc(N2CC(Oc3ccc(C(C)NC(=O)CF)cc3)C2)cc1.
What is the InChIKey of N-[1-[4-[1-(4-ethoxyphenyl)azetidin-3-yl]oxyphenyl]ethyl]-2-fluoroacetamide?
The InChIKey is SHOZCEYORWTAHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O3/c1-3-26-18-10-6-17(7-11-18)24-13-20(14-24)27-19-8-4-16(5-9-19)15(2)23-21(25)12-22/h4-11,15,20H,3,12-14H2,1-2H3,(H,23,25).
What are the key properties of N-[1-[4-[1-(4-ethoxyphenyl)azetidin-3-yl]oxyphenyl]ethyl]-2-fluoroacetamide?
N-[1-[4-[1-(4-ethoxyphenyl)azetidin-3-yl]oxyphenyl]ethyl]-2-fluoroacetamide has a molecular weight of 372.44 g/mol, XLogP of 3.50, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-[1-(4-ethoxyphenyl)azetidin-3-yl]oxyphenyl]ethyl]-2-fluoroacetamide is sourced from PubChem (CID 123494254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).