1-[2-fluoro-4-(3-methoxypropoxy)phenyl]pyrrolidine;N-[1-(4-hydroxyphenyl)ethyl]acetamide

C24H33FN2O4 — CID 144603208

IUPAC1-[2-fluoro-4-(3-methoxypropoxy)phenyl]pyrrolidine;N-[1-(4-hydroxyphenyl)ethyl]acetamide
SMILESCC(=O)NC(C)c1ccc(O)cc1.COCCCOc1ccc(N2CCCC2)c(F)c1
InChIInChI=1S/C14H20FNO2.C10H13NO2/c1-17-9-4-10-18-12-5-6-14(13(15)11-12)16-7-2-3-8-16;1-7(11-8(2)12)9-3-5-10(13)6-4-9/h5-6,11H,2-4,7-10H2,1H3;3-7,13H,1-2H3,(H,11,12)
InChIKeyDDLGIWGAORFMAX-UHFFFAOYSA-N
MW432.54 g/mol
LogP4.43
Rot. Bonds8

About 1-[2-fluoro-4-(3-methoxypropoxy)phenyl]pyrrolidine;N-[1-(4-hydroxyphenyl)ethyl]acetamide

1-[2-fluoro-4-(3-methoxypropoxy)phenyl]pyrrolidine;N-[1-(4-hydroxyphenyl)ethyl]acetamide (PubChem CID 144603208) has the molecular formula C24H33FN2O4 and a molecular weight of 432.54 g/mol. Its IUPAC name is 1-[2-fluoro-4-(3-methoxypropoxy)phenyl]pyrrolidine;N-[1-(4-hydroxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name1-[2-fluoro-4-(3-methoxypropoxy)phenyl]pyrrolidine;N-[1-(4-hydroxyphenyl)ethyl]acetamide
PubChem CID144603208
Molecular FormulaC24H33FN2O4
Molecular Weight432.54 g/mol
Exact Mass432.24
IUPAC Name1-[2-fluoro-4-(3-methoxypropoxy)phenyl]pyrrolidine;N-[1-(4-hydroxyphenyl)ethyl]acetamide
SMILESCC(=O)NC(C)c1ccc(O)cc1.COCCCOc1ccc(N2CCCC2)c(F)c1
InChIInChI=1S/C14H20FNO2.C10H13NO2/c1-17-9-4-10-18-12-5-6-14(13(15)11-12)16-7-2-3-8-16;1-7(11-8(2)12)9-3-5-10(13)6-4-9/h5-6,11H,2-4,7-10H2,1H3;3-7,13H,1-2H3,(H,11,12)
InChIKeyDDLGIWGAORFMAX-UHFFFAOYSA-N
XLogP4.43
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.54
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(1S)-1-[4-[1-[2-fluoro-4-(2-methoxyethoxy)phenyl]pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide
CID 118473386
1-[2-fluoro-4-(3-methoxypropoxy)phenyl]-4-methylpiperazine
CID 143046254
N-[(1S)-1-[4-[1-(4-ethoxy-2-fluorophenyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide
CID 118473436
N-[1-[4-[1-[4-[(2,2-difluorocyclopropyl)methoxy]-2-fluorophenyl]pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide
CID 123718547
N-[1-(4-hydroxyphenyl)ethyl]acetamide;1-[4-(oxolan-2-ylmethoxy)phenyl]pyrrolidine
CID 144603074
(4R)-4-[4-[1-[2-fluoro-4-(2-methoxyethoxy)phenyl]pyrrolidin-3-yl]oxyphenyl]pentan-2-one
CID 153169982
N-[1-[4-[1-(2-chloro-4-propoxyphenyl)azetidin-3-yl]oxyphenyl]ethyl]acetamide
CID 123536154
N-[1-(4-hydroxyphenyl)ethyl]acetamide;methoxymethane;pyrrolidine
CID 144603083
N-[1-[4-[1-[2-fluoro-4-(oxolan-3-yloxy)phenyl]pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide
CID 123701770
N-[(1S)-1-[4-[(3R)-1-(3,5-difluoro-6-piperidin-1-yl-2-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide
CID 91668973
N-[(1S)-1-[4-[1-(2-chloro-4-propoxyphenyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide
CID 118473329
8-[2-fluoro-4-[2-(2-methoxyethoxy)ethoxy]phenyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 118904933

Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-4-(3-methoxypropoxy)phenyl]pyrrolidine;N-[1-(4-hydroxyphenyl)ethyl]acetamide?
The IUPAC name of 1-[2-fluoro-4-(3-methoxypropoxy)phenyl]pyrrolidine;N-[1-(4-hydroxyphenyl)ethyl]acetamide (CID 144603208) is 1-[2-fluoro-4-(3-methoxypropoxy)phenyl]pyrrolidine;N-[1-(4-hydroxyphenyl)ethyl]acetamide.
What is the SMILES notation for 1-[2-fluoro-4-(3-methoxypropoxy)phenyl]pyrrolidine;N-[1-(4-hydroxyphenyl)ethyl]acetamide?
The canonical SMILES for 1-[2-fluoro-4-(3-methoxypropoxy)phenyl]pyrrolidine;N-[1-(4-hydroxyphenyl)ethyl]acetamide is CC(=O)NC(C)c1ccc(O)cc1.COCCCOc1ccc(N2CCCC2)c(F)c1.
What is the InChIKey of 1-[2-fluoro-4-(3-methoxypropoxy)phenyl]pyrrolidine;N-[1-(4-hydroxyphenyl)ethyl]acetamide?
The InChIKey is DDLGIWGAORFMAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO2.C10H13NO2/c1-17-9-4-10-18-12-5-6-14(13(15)11-12)16-7-2-3-8-16;1-7(11-8(2)12)9-3-5-10(13)6-4-9/h5-6,11H,2-4,7-10H2,1H3;3-7,13H,1-2H3,(H,11,12).
What are the key properties of 1-[2-fluoro-4-(3-methoxypropoxy)phenyl]pyrrolidine;N-[1-(4-hydroxyphenyl)ethyl]acetamide?
1-[2-fluoro-4-(3-methoxypropoxy)phenyl]pyrrolidine;N-[1-(4-hydroxyphenyl)ethyl]acetamide has a molecular weight of 432.54 g/mol, XLogP of 4.43, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-4-(3-methoxypropoxy)phenyl]pyrrolidine;N-[1-(4-hydroxyphenyl)ethyl]acetamide is sourced from PubChem (CID 144603208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).