N-(4-chlorophenyl)-2-[3-(1-hydroxypropyl)pyrrol-1-yl]acetamide

C15H17ClN2O2 — CID 79104858

IUPACN-(4-chlorophenyl)-2-[3-(1-hydroxypropyl)pyrrol-1-yl]acetamide
SMILESCCC(O)c1ccn(CC(=O)Nc2ccc(Cl)cc2)c1
InChIInChI=1S/C15H17ClN2O2/c1-2-14(19)11-7-8-18(9-11)10-15(20)17-13-5-3-12(16)4-6-13/h3-9,14,19H,2,10H2,1H3,(H,17,20)
InChIKeyMYAZPLWLOQCDFQ-UHFFFAOYSA-N
MW292.77 g/mol
LogP3.22
Rot. Bonds5

About N-(4-chlorophenyl)-2-[3-(1-hydroxypropyl)pyrrol-1-yl]acetamide

N-(4-chlorophenyl)-2-[3-(1-hydroxypropyl)pyrrol-1-yl]acetamide (PubChem CID 79104858) has the molecular formula C15H17ClN2O2 and a molecular weight of 292.77 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[3-(1-hydroxypropyl)pyrrol-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[3-(1-hydroxypropyl)pyrrol-1-yl]acetamide
PubChem CID79104858
Molecular FormulaC15H17ClN2O2
Molecular Weight292.77 g/mol
Exact Mass292.10
IUPAC NameN-(4-chlorophenyl)-2-[3-(1-hydroxypropyl)pyrrol-1-yl]acetamide
SMILESCCC(O)c1ccn(CC(=O)Nc2ccc(Cl)cc2)c1
InChIInChI=1S/C15H17ClN2O2/c1-2-14(19)11-7-8-18(9-11)10-15(20)17-13-5-3-12(16)4-6-13/h3-9,14,19H,2,10H2,1H3,(H,17,20)
InChIKeyMYAZPLWLOQCDFQ-UHFFFAOYSA-N
XLogP3.22
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(4-chlorophenyl)-2-[3-(1-hydroxypropyl)pyrrol-1-yl]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-(4-chlorophenyl)-2-[3-(1-hydroxypropyl)pyrrol-1-yl]acetamide?
The IUPAC name of N-(4-chlorophenyl)-2-[3-(1-hydroxypropyl)pyrrol-1-yl]acetamide (CID 79104858) is N-(4-chlorophenyl)-2-[3-(1-hydroxypropyl)pyrrol-1-yl]acetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[3-(1-hydroxypropyl)pyrrol-1-yl]acetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[3-(1-hydroxypropyl)pyrrol-1-yl]acetamide is CCC(O)c1ccn(CC(=O)Nc2ccc(Cl)cc2)c1.
What is the InChIKey of N-(4-chlorophenyl)-2-[3-(1-hydroxypropyl)pyrrol-1-yl]acetamide?
The InChIKey is MYAZPLWLOQCDFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2/c1-2-14(19)11-7-8-18(9-11)10-15(20)17-13-5-3-12(16)4-6-13/h3-9,14,19H,2,10H2,1H3,(H,17,20).
What are the key properties of N-(4-chlorophenyl)-2-[3-(1-hydroxypropyl)pyrrol-1-yl]acetamide?
N-(4-chlorophenyl)-2-[3-(1-hydroxypropyl)pyrrol-1-yl]acetamide has a molecular weight of 292.77 g/mol, XLogP of 3.22, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[3-(1-hydroxypropyl)pyrrol-1-yl]acetamide is sourced from PubChem (CID 79104858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).