N-[2-[3-[3-(3,4-difluorophenoxy)pyrrolidin-1-yl]-2-hydroxypropoxy]-5-methylphenyl]acetamide

C22H26F2N2O4 — CID 10295631

IUPACN-[2-[3-[3-(3,4-difluorophenoxy)pyrrolidin-1-yl]-2-hydroxypropoxy]-5-methylphenyl]acetamide
SMILESCC(=O)Nc1cc(C)ccc1OCC(O)CN1CCC(Oc2ccc(F)c(F)c2)C1
InChIInChI=1S/C22H26F2N2O4/c1-14-3-6-22(21(9-14)25-15(2)27)29-13-16(28)11-26-8-7-18(12-26)30-17-4-5-19(23)20(24)10-17/h3-6,9-10,16,18,28H,7-8,11-13H2,1-2H3,(H,25,27)
InChIKeyAHQSAUUVFOOHEF-UHFFFAOYSA-N
MW420.46 g/mol
LogP3.12
Rot. Bonds8

About N-[2-[3-[3-(3,4-difluorophenoxy)pyrrolidin-1-yl]-2-hydroxypropoxy]-5-methylphenyl]acetamide

N-[2-[3-[3-(3,4-difluorophenoxy)pyrrolidin-1-yl]-2-hydroxypropoxy]-5-methylphenyl]acetamide (PubChem CID 10295631) has the molecular formula C22H26F2N2O4 and a molecular weight of 420.46 g/mol. Its IUPAC name is N-[2-[3-[3-(3,4-difluorophenoxy)pyrrolidin-1-yl]-2-hydroxypropoxy]-5-methylphenyl]acetamide.

Molecular Properties

Compound NameN-[2-[3-[3-(3,4-difluorophenoxy)pyrrolidin-1-yl]-2-hydroxypropoxy]-5-methylphenyl]acetamide
PubChem CID10295631
Molecular FormulaC22H26F2N2O4
Molecular Weight420.46 g/mol
Exact Mass420.19
IUPAC NameN-[2-[3-[3-(3,4-difluorophenoxy)pyrrolidin-1-yl]-2-hydroxypropoxy]-5-methylphenyl]acetamide
SMILESCC(=O)Nc1cc(C)ccc1OCC(O)CN1CCC(Oc2ccc(F)c(F)c2)C1
InChIInChI=1S/C22H26F2N2O4/c1-14-3-6-22(21(9-14)25-15(2)27)29-13-16(28)11-26-8-7-18(12-26)30-17-4-5-19(23)20(24)10-17/h3-6,9-10,16,18,28H,7-8,11-13H2,1-2H3,(H,25,27)
InChIKeyAHQSAUUVFOOHEF-UHFFFAOYSA-N
XLogP3.12
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.46
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-fluoro-2-[3-[3-(4-fluorophenoxy)pyrrolidin-1-yl]-2-hydroxypropoxy]phenyl]acetamide
CID 10136007
N-[3-acetyl-2-[3-[3-(4-fluorophenoxy)pyrrolidin-1-yl]-2-hydroxypropoxy]-5-methylphenyl]acetamide
CID 22313733
N-[2-[3-[3-(4-chlorophenoxy)pyrrolidin-1-yl]-2-hydroxypropoxy]-4-methylphenyl]cyclobutanecarboxamide
CID 10226384
N-[2-[3-[3-(4-chlorophenoxy)pyrrolidin-1-yl]-2-hydroxypropoxy]-4-methylphenyl]-2-pyrrolidin-1-ylacetamide
CID 139966276
N-[2-[3-[4-(4-chlorophenoxy)piperidin-1-yl]-2-hydroxypropoxy]phenyl]acetamide
CID 10159022
1-[4-(3,4-difluorophenoxy)piperidin-1-yl]-3-phenoxypropan-2-ol
CID 141041912
1-[3-(4-chlorophenoxy)pyrrolidin-1-yl]-3-(4-fluorophenoxy)propan-2-ol
CID 141041922
[2-[3-[3-(3,4-dichlorophenoxy)pyrrolidin-1-yl]-2-hydroxypropoxy]phenyl]urea;2,2,2-trifluoroacetic acid
CID 171923670
1-[7-[3-[3-(4-chlorophenoxy)pyrrolidin-1-yl]-2-hydroxypropoxy]indol-1-yl]ethanone
CID 10224508
N-[2-[3-[3-(4-chlorophenoxy)pyrrolidin-1-yl]-2-hydroxypropoxy]phenyl]-1H-pyrrole-2-carboxamide
CID 10161421
2-[5-chloro-2-[2-hydroxy-3-(3-phenoxypyrrolidin-1-yl)propoxy]phenyl]acetamide
CID 70108048
N-[2-[3-[3-(4-chlorophenoxy)pyrrolidin-1-yl]-2-hydroxypropoxy]phenyl]pyrazine-2-carboxamide
CID 10205351

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-[3-(3,4-difluorophenoxy)pyrrolidin-1-yl]-2-hydroxypropoxy]-5-methylphenyl]acetamide?
The IUPAC name of N-[2-[3-[3-(3,4-difluorophenoxy)pyrrolidin-1-yl]-2-hydroxypropoxy]-5-methylphenyl]acetamide (CID 10295631) is N-[2-[3-[3-(3,4-difluorophenoxy)pyrrolidin-1-yl]-2-hydroxypropoxy]-5-methylphenyl]acetamide.
What is the SMILES notation for N-[2-[3-[3-(3,4-difluorophenoxy)pyrrolidin-1-yl]-2-hydroxypropoxy]-5-methylphenyl]acetamide?
The canonical SMILES for N-[2-[3-[3-(3,4-difluorophenoxy)pyrrolidin-1-yl]-2-hydroxypropoxy]-5-methylphenyl]acetamide is CC(=O)Nc1cc(C)ccc1OCC(O)CN1CCC(Oc2ccc(F)c(F)c2)C1.
What is the InChIKey of N-[2-[3-[3-(3,4-difluorophenoxy)pyrrolidin-1-yl]-2-hydroxypropoxy]-5-methylphenyl]acetamide?
The InChIKey is AHQSAUUVFOOHEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26F2N2O4/c1-14-3-6-22(21(9-14)25-15(2)27)29-13-16(28)11-26-8-7-18(12-26)30-17-4-5-19(23)20(24)10-17/h3-6,9-10,16,18,28H,7-8,11-13H2,1-2H3,(H,25,27).
What are the key properties of N-[2-[3-[3-(3,4-difluorophenoxy)pyrrolidin-1-yl]-2-hydroxypropoxy]-5-methylphenyl]acetamide?
N-[2-[3-[3-(3,4-difluorophenoxy)pyrrolidin-1-yl]-2-hydroxypropoxy]-5-methylphenyl]acetamide has a molecular weight of 420.46 g/mol, XLogP of 3.12, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-[3-(3,4-difluorophenoxy)pyrrolidin-1-yl]-2-hydroxypropoxy]-5-methylphenyl]acetamide is sourced from PubChem (CID 10295631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).