N-[2-[3-[3-(4-chlorophenoxy)pyrrol-1-yl]-2-hydroxypropoxy]phenyl]propanamide

C22H23ClN2O4 — CID 70002496

IUPACN-[2-[3-[3-(4-chlorophenoxy)pyrrol-1-yl]-2-hydroxypropoxy]phenyl]propanamide
SMILESCCC(=O)Nc1ccccc1OCC(O)Cn1ccc(Oc2ccc(Cl)cc2)c1
InChIInChI=1S/C22H23ClN2O4/c1-2-22(27)24-20-5-3-4-6-21(20)28-15-17(26)13-25-12-11-19(14-25)29-18-9-7-16(23)8-10-18/h3-12,14,17,26H,2,13,15H2,1H3,(H,24,27)
InChIKeyJVQDRAJGYDQTPI-UHFFFAOYSA-N
MW414.89 g/mol
LogP4.72
Rot. Bonds9

About N-[2-[3-[3-(4-chlorophenoxy)pyrrol-1-yl]-2-hydroxypropoxy]phenyl]propanamide

N-[2-[3-[3-(4-chlorophenoxy)pyrrol-1-yl]-2-hydroxypropoxy]phenyl]propanamide (PubChem CID 70002496) has the molecular formula C22H23ClN2O4 and a molecular weight of 414.89 g/mol. Its IUPAC name is N-[2-[3-[3-(4-chlorophenoxy)pyrrol-1-yl]-2-hydroxypropoxy]phenyl]propanamide.

Molecular Properties

Compound NameN-[2-[3-[3-(4-chlorophenoxy)pyrrol-1-yl]-2-hydroxypropoxy]phenyl]propanamide
PubChem CID70002496
Molecular FormulaC22H23ClN2O4
Molecular Weight414.89 g/mol
Exact Mass414.13
IUPAC NameN-[2-[3-[3-(4-chlorophenoxy)pyrrol-1-yl]-2-hydroxypropoxy]phenyl]propanamide
SMILESCCC(=O)Nc1ccccc1OCC(O)Cn1ccc(Oc2ccc(Cl)cc2)c1
InChIInChI=1S/C22H23ClN2O4/c1-2-22(27)24-20-5-3-4-6-21(20)28-15-17(26)13-25-12-11-19(14-25)29-18-9-7-16(23)8-10-18/h3-12,14,17,26H,2,13,15H2,1H3,(H,24,27)
InChIKeyJVQDRAJGYDQTPI-UHFFFAOYSA-N
XLogP4.72
TPSA72.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.89
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-[3-[3-(4-chlorophenoxy)pyrrol-1-yl]-2-hydroxypropoxy]phenyl]propanamide 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-[2-[3-[3-(4-chlorophenoxy)pyrrol-1-yl]-2-hydroxypropoxy]phenyl]propanamide?
The IUPAC name of N-[2-[3-[3-(4-chlorophenoxy)pyrrol-1-yl]-2-hydroxypropoxy]phenyl]propanamide (CID 70002496) is N-[2-[3-[3-(4-chlorophenoxy)pyrrol-1-yl]-2-hydroxypropoxy]phenyl]propanamide.
What is the SMILES notation for N-[2-[3-[3-(4-chlorophenoxy)pyrrol-1-yl]-2-hydroxypropoxy]phenyl]propanamide?
The canonical SMILES for N-[2-[3-[3-(4-chlorophenoxy)pyrrol-1-yl]-2-hydroxypropoxy]phenyl]propanamide is CCC(=O)Nc1ccccc1OCC(O)Cn1ccc(Oc2ccc(Cl)cc2)c1.
What is the InChIKey of N-[2-[3-[3-(4-chlorophenoxy)pyrrol-1-yl]-2-hydroxypropoxy]phenyl]propanamide?
The InChIKey is JVQDRAJGYDQTPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN2O4/c1-2-22(27)24-20-5-3-4-6-21(20)28-15-17(26)13-25-12-11-19(14-25)29-18-9-7-16(23)8-10-18/h3-12,14,17,26H,2,13,15H2,1H3,(H,24,27).
What are the key properties of N-[2-[3-[3-(4-chlorophenoxy)pyrrol-1-yl]-2-hydroxypropoxy]phenyl]propanamide?
N-[2-[3-[3-(4-chlorophenoxy)pyrrol-1-yl]-2-hydroxypropoxy]phenyl]propanamide has a molecular weight of 414.89 g/mol, XLogP of 4.72, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-[3-(4-chlorophenoxy)pyrrol-1-yl]-2-hydroxypropoxy]phenyl]propanamide is sourced from PubChem (CID 70002496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).