N-(3-chloro-4-cyanophenyl)-2-[2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetamide

C18H19ClN4O — CID 4787158

IUPACN-(3-chloro-4-cyanophenyl)-2-[2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetamide
SMILESCn1cccc1C1CCCN1CC(=O)Nc1ccc(C#N)c(Cl)c1
InChIInChI=1S/C18H19ClN4O/c1-22-8-2-4-16(22)17-5-3-9-23(17)12-18(24)21-14-7-6-13(11-20)15(19)10-14/h2,4,6-8,10,17H,3,5,9,12H2,1H3,(H,21,24)
InChIKeyPHSDOAAWEVVCBG-UHFFFAOYSA-N
MW342.83 g/mol
LogP3.33
Rot. Bonds4

About N-(3-chloro-4-cyanophenyl)-2-[2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetamide

N-(3-chloro-4-cyanophenyl)-2-[2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetamide (PubChem CID 4787158) has the molecular formula C18H19ClN4O and a molecular weight of 342.83 g/mol. Its IUPAC name is N-(3-chloro-4-cyanophenyl)-2-[2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-cyanophenyl)-2-[2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetamide
PubChem CID4787158
Molecular FormulaC18H19ClN4O
Molecular Weight342.83 g/mol
Exact Mass342.12
IUPAC NameN-(3-chloro-4-cyanophenyl)-2-[2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetamide
SMILESCn1cccc1C1CCCN1CC(=O)Nc1ccc(C#N)c(Cl)c1
InChIInChI=1S/C18H19ClN4O/c1-22-8-2-4-16(22)17-5-3-9-23(17)12-18(24)21-14-7-6-13(11-20)15(19)10-14/h2,4,6-8,10,17H,3,5,9,12H2,1H3,(H,21,24)
InChIKeyPHSDOAAWEVVCBG-UHFFFAOYSA-N
XLogP3.33
TPSA61.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.83
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(3-chloro-4-cyanophenyl)-2-[2-(1-methylpyrrol-2-yl)pyrrolidin-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-(3-chloro-4-cyanophenyl)-2-[2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetamide?
The IUPAC name of N-(3-chloro-4-cyanophenyl)-2-[2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetamide (CID 4787158) is N-(3-chloro-4-cyanophenyl)-2-[2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-(3-chloro-4-cyanophenyl)-2-[2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetamide?
The canonical SMILES for N-(3-chloro-4-cyanophenyl)-2-[2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetamide is Cn1cccc1C1CCCN1CC(=O)Nc1ccc(C#N)c(Cl)c1.
What is the InChIKey of N-(3-chloro-4-cyanophenyl)-2-[2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetamide?
The InChIKey is PHSDOAAWEVVCBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4O/c1-22-8-2-4-16(22)17-5-3-9-23(17)12-18(24)21-14-7-6-13(11-20)15(19)10-14/h2,4,6-8,10,17H,3,5,9,12H2,1H3,(H,21,24).
What are the key properties of N-(3-chloro-4-cyanophenyl)-2-[2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetamide?
N-(3-chloro-4-cyanophenyl)-2-[2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetamide has a molecular weight of 342.83 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-cyanophenyl)-2-[2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 4787158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).