4-chloro-N-(3-methoxypropyl)-1H-pyrrole-2-carboxamide

C9H13ClN2O2 — CID 35071339

IUPAC4-chloro-N-(3-methoxypropyl)-1H-pyrrole-2-carboxamide
SMILESCOCCCNC(=O)c1cc(Cl)c[nH]1
InChIInChI=1S/C9H13ClN2O2/c1-14-4-2-3-11-9(13)8-5-7(10)6-12-8/h5-6,12H,2-4H2,1H3,(H,11,13)
InChIKeyWWWJDVFGJFMLLG-UHFFFAOYSA-N
MW216.67 g/mol
LogP1.43
Rot. Bonds5

About 4-chloro-N-(3-methoxypropyl)-1H-pyrrole-2-carboxamide

4-chloro-N-(3-methoxypropyl)-1H-pyrrole-2-carboxamide (PubChem CID 35071339) has the molecular formula C9H13ClN2O2 and a molecular weight of 216.67 g/mol. Its IUPAC name is 4-chloro-N-(3-methoxypropyl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(3-methoxypropyl)-1H-pyrrole-2-carboxamide
PubChem CID35071339
Molecular FormulaC9H13ClN2O2
Molecular Weight216.67 g/mol
Exact Mass216.07
IUPAC Name4-chloro-N-(3-methoxypropyl)-1H-pyrrole-2-carboxamide
SMILESCOCCCNC(=O)c1cc(Cl)c[nH]1
InChIInChI=1S/C9H13ClN2O2/c1-14-4-2-3-11-9(13)8-5-7(10)6-12-8/h5-6,12H,2-4H2,1H3,(H,11,13)
InChIKeyWWWJDVFGJFMLLG-UHFFFAOYSA-N
XLogP1.43
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.67
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-chloro-N-(3-methoxypropyl)-1H-pyrrole-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 4-chloro-N-(3-methoxypropyl)-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-chloro-N-(3-methoxypropyl)-1H-pyrrole-2-carboxamide (CID 35071339) is 4-chloro-N-(3-methoxypropyl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-chloro-N-(3-methoxypropyl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-chloro-N-(3-methoxypropyl)-1H-pyrrole-2-carboxamide is COCCCNC(=O)c1cc(Cl)c[nH]1.
What is the InChIKey of 4-chloro-N-(3-methoxypropyl)-1H-pyrrole-2-carboxamide?
The InChIKey is WWWJDVFGJFMLLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2O2/c1-14-4-2-3-11-9(13)8-5-7(10)6-12-8/h5-6,12H,2-4H2,1H3,(H,11,13).
What are the key properties of 4-chloro-N-(3-methoxypropyl)-1H-pyrrole-2-carboxamide?
4-chloro-N-(3-methoxypropyl)-1H-pyrrole-2-carboxamide has a molecular weight of 216.67 g/mol, XLogP of 1.43, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(3-methoxypropyl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 35071339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).