N-(2-amino-2-oxoethyl)-4,5-dichloro-N-cyclopentyl-1-methylpyrrole-2-carboxamide

C13H17Cl2N3O2 — CID 47352441

IUPACN-(2-amino-2-oxoethyl)-4,5-dichloro-N-cyclopentyl-1-methylpyrrole-2-carboxamide
SMILESCn1c(C(=O)N(CC(N)=O)C2CCCC2)cc(Cl)c1Cl
InChIInChI=1S/C13H17Cl2N3O2/c1-17-10(6-9(14)12(17)15)13(20)18(7-11(16)19)8-4-2-3-5-8/h6,8H,2-5,7H2,1H3,(H2,16,19)
InChIKeyYXQFKAZYKOEGMD-UHFFFAOYSA-N
MW318.20 g/mol
LogP2.20
Rot. Bonds4

About N-(2-amino-2-oxoethyl)-4,5-dichloro-N-cyclopentyl-1-methylpyrrole-2-carboxamide

N-(2-amino-2-oxoethyl)-4,5-dichloro-N-cyclopentyl-1-methylpyrrole-2-carboxamide (PubChem CID 47352441) has the molecular formula C13H17Cl2N3O2 and a molecular weight of 318.20 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-4,5-dichloro-N-cyclopentyl-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-4,5-dichloro-N-cyclopentyl-1-methylpyrrole-2-carboxamide
PubChem CID47352441
Molecular FormulaC13H17Cl2N3O2
Molecular Weight318.20 g/mol
Exact Mass317.07
IUPAC NameN-(2-amino-2-oxoethyl)-4,5-dichloro-N-cyclopentyl-1-methylpyrrole-2-carboxamide
SMILESCn1c(C(=O)N(CC(N)=O)C2CCCC2)cc(Cl)c1Cl
InChIInChI=1S/C13H17Cl2N3O2/c1-17-10(6-9(14)12(17)15)13(20)18(7-11(16)19)8-4-2-3-5-8/h6,8H,2-5,7H2,1H3,(H2,16,19)
InChIKeyYXQFKAZYKOEGMD-UHFFFAOYSA-N
XLogP2.20
TPSA68.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.20
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2-amino-2-oxoethyl)-4,5-dichloro-N-cyclopentyl-1-methylpyrrole-2-carboxamide 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-amino-2-oxoethyl)-4,5-dichloro-N-cyclopentyl-1-methylpyrrole-2-carboxamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-4,5-dichloro-N-cyclopentyl-1-methylpyrrole-2-carboxamide (CID 47352441) is N-(2-amino-2-oxoethyl)-4,5-dichloro-N-cyclopentyl-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-4,5-dichloro-N-cyclopentyl-1-methylpyrrole-2-carboxamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-4,5-dichloro-N-cyclopentyl-1-methylpyrrole-2-carboxamide is Cn1c(C(=O)N(CC(N)=O)C2CCCC2)cc(Cl)c1Cl.
What is the InChIKey of N-(2-amino-2-oxoethyl)-4,5-dichloro-N-cyclopentyl-1-methylpyrrole-2-carboxamide?
The InChIKey is YXQFKAZYKOEGMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2N3O2/c1-17-10(6-9(14)12(17)15)13(20)18(7-11(16)19)8-4-2-3-5-8/h6,8H,2-5,7H2,1H3,(H2,16,19).
What are the key properties of N-(2-amino-2-oxoethyl)-4,5-dichloro-N-cyclopentyl-1-methylpyrrole-2-carboxamide?
N-(2-amino-2-oxoethyl)-4,5-dichloro-N-cyclopentyl-1-methylpyrrole-2-carboxamide has a molecular weight of 318.20 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-4,5-dichloro-N-cyclopentyl-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 47352441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).