N-[3-acetyl-2-[[3-[3-(3,4-dichlorophenoxy)pyrrolidin-1-yl]-2-hydroxypropoxy]methyl]phenyl]acetamide

C24H28Cl2N2O5 — CID 91321425

IUPACN-[3-acetyl-2-[[3-[3-(3,4-dichlorophenoxy)pyrrolidin-1-yl]-2-hydroxypropoxy]methyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(C(C)=O)c1COCC(O)CN1CCC(Oc2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C24H28Cl2N2O5/c1-15(29)20-4-3-5-24(27-16(2)30)21(20)14-32-13-17(31)11-28-9-8-19(12-28)33-18-6-7-22(25)23(26)10-18/h3-7,10,17,19,31H,8-9,11-14H2,1-2H3,(H,27,30)
InChIKeyBCNQSPKGQQMMGB-UHFFFAOYSA-N
MW495.40 g/mol
LogP4.19
Rot. Bonds10

About N-[3-acetyl-2-[[3-[3-(3,4-dichlorophenoxy)pyrrolidin-1-yl]-2-hydroxypropoxy]methyl]phenyl]acetamide

N-[3-acetyl-2-[[3-[3-(3,4-dichlorophenoxy)pyrrolidin-1-yl]-2-hydroxypropoxy]methyl]phenyl]acetamide (PubChem CID 91321425) has the molecular formula C24H28Cl2N2O5 and a molecular weight of 495.40 g/mol. Its IUPAC name is N-[3-acetyl-2-[[3-[3-(3,4-dichlorophenoxy)pyrrolidin-1-yl]-2-hydroxypropoxy]methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-acetyl-2-[[3-[3-(3,4-dichlorophenoxy)pyrrolidin-1-yl]-2-hydroxypropoxy]methyl]phenyl]acetamide
PubChem CID91321425
Molecular FormulaC24H28Cl2N2O5
Molecular Weight495.40 g/mol
Exact Mass494.14
IUPAC NameN-[3-acetyl-2-[[3-[3-(3,4-dichlorophenoxy)pyrrolidin-1-yl]-2-hydroxypropoxy]methyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(C(C)=O)c1COCC(O)CN1CCC(Oc2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C24H28Cl2N2O5/c1-15(29)20-4-3-5-24(27-16(2)30)21(20)14-32-13-17(31)11-28-9-8-19(12-28)33-18-6-7-22(25)23(26)10-18/h3-7,10,17,19,31H,8-9,11-14H2,1-2H3,(H,27,30)
InChIKeyBCNQSPKGQQMMGB-UHFFFAOYSA-N
XLogP4.19
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.40
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[3-acetyl-2-[[3-[3-(3,4-dichlorophenoxy)pyrrolidin-1-yl]-2-hydroxypropoxy]methyl]phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-acetyl-2-[[3-[3-(3,4-dichlorophenoxy)pyrrolidin-1-yl]-2-hydroxypropoxy]methyl]phenyl]acetamide?
The IUPAC name of N-[3-acetyl-2-[[3-[3-(3,4-dichlorophenoxy)pyrrolidin-1-yl]-2-hydroxypropoxy]methyl]phenyl]acetamide (CID 91321425) is N-[3-acetyl-2-[[3-[3-(3,4-dichlorophenoxy)pyrrolidin-1-yl]-2-hydroxypropoxy]methyl]phenyl]acetamide.
What is the SMILES notation for N-[3-acetyl-2-[[3-[3-(3,4-dichlorophenoxy)pyrrolidin-1-yl]-2-hydroxypropoxy]methyl]phenyl]acetamide?
The canonical SMILES for N-[3-acetyl-2-[[3-[3-(3,4-dichlorophenoxy)pyrrolidin-1-yl]-2-hydroxypropoxy]methyl]phenyl]acetamide is CC(=O)Nc1cccc(C(C)=O)c1COCC(O)CN1CCC(Oc2ccc(Cl)c(Cl)c2)C1.
What is the InChIKey of N-[3-acetyl-2-[[3-[3-(3,4-dichlorophenoxy)pyrrolidin-1-yl]-2-hydroxypropoxy]methyl]phenyl]acetamide?
The InChIKey is BCNQSPKGQQMMGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28Cl2N2O5/c1-15(29)20-4-3-5-24(27-16(2)30)21(20)14-32-13-17(31)11-28-9-8-19(12-28)33-18-6-7-22(25)23(26)10-18/h3-7,10,17,19,31H,8-9,11-14H2,1-2H3,(H,27,30).
What are the key properties of N-[3-acetyl-2-[[3-[3-(3,4-dichlorophenoxy)pyrrolidin-1-yl]-2-hydroxypropoxy]methyl]phenyl]acetamide?
N-[3-acetyl-2-[[3-[3-(3,4-dichlorophenoxy)pyrrolidin-1-yl]-2-hydroxypropoxy]methyl]phenyl]acetamide has a molecular weight of 495.40 g/mol, XLogP of 4.19, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-acetyl-2-[[3-[3-(3,4-dichlorophenoxy)pyrrolidin-1-yl]-2-hydroxypropoxy]methyl]phenyl]acetamide is sourced from PubChem (CID 91321425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).