4-chloro-N-[[5-(dimethylcarbamoyl)oxolan-2-yl]methyl]-1H-pyrrole-2-carboxamide

C13H18ClN3O3 — CID 84598545

IUPAC4-chloro-N-[[5-(dimethylcarbamoyl)oxolan-2-yl]methyl]-1H-pyrrole-2-carboxamide
SMILESCN(C)C(=O)C1CCC(CNC(=O)c2cc(Cl)c[nH]2)O1
InChIInChI=1S/C13H18ClN3O3/c1-17(2)13(19)11-4-3-9(20-11)7-16-12(18)10-5-8(14)6-15-10/h5-6,9,11,15H,3-4,7H2,1-2H3,(H,16,18)
InChIKeyGMRUZCQODLUKCP-UHFFFAOYSA-N
MW299.76 g/mol
LogP1.03
Rot. Bonds4

About 4-chloro-N-[[5-(dimethylcarbamoyl)oxolan-2-yl]methyl]-1H-pyrrole-2-carboxamide

4-chloro-N-[[5-(dimethylcarbamoyl)oxolan-2-yl]methyl]-1H-pyrrole-2-carboxamide (PubChem CID 84598545) has the molecular formula C13H18ClN3O3 and a molecular weight of 299.76 g/mol. Its IUPAC name is 4-chloro-N-[[5-(dimethylcarbamoyl)oxolan-2-yl]methyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[[5-(dimethylcarbamoyl)oxolan-2-yl]methyl]-1H-pyrrole-2-carboxamide
PubChem CID84598545
Molecular FormulaC13H18ClN3O3
Molecular Weight299.76 g/mol
Exact Mass299.10
IUPAC Name4-chloro-N-[[5-(dimethylcarbamoyl)oxolan-2-yl]methyl]-1H-pyrrole-2-carboxamide
SMILESCN(C)C(=O)C1CCC(CNC(=O)c2cc(Cl)c[nH]2)O1
InChIInChI=1S/C13H18ClN3O3/c1-17(2)13(19)11-4-3-9(20-11)7-16-12(18)10-5-8(14)6-15-10/h5-6,9,11,15H,3-4,7H2,1-2H3,(H,16,18)
InChIKeyGMRUZCQODLUKCP-UHFFFAOYSA-N
XLogP1.03
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.76
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[[5-(dimethylcarbamoyl)oxolan-2-yl]methyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-chloro-N-[[5-(dimethylcarbamoyl)oxolan-2-yl]methyl]-1H-pyrrole-2-carboxamide (CID 84598545) is 4-chloro-N-[[5-(dimethylcarbamoyl)oxolan-2-yl]methyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-chloro-N-[[5-(dimethylcarbamoyl)oxolan-2-yl]methyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-chloro-N-[[5-(dimethylcarbamoyl)oxolan-2-yl]methyl]-1H-pyrrole-2-carboxamide is CN(C)C(=O)C1CCC(CNC(=O)c2cc(Cl)c[nH]2)O1.
What is the InChIKey of 4-chloro-N-[[5-(dimethylcarbamoyl)oxolan-2-yl]methyl]-1H-pyrrole-2-carboxamide?
The InChIKey is GMRUZCQODLUKCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O3/c1-17(2)13(19)11-4-3-9(20-11)7-16-12(18)10-5-8(14)6-15-10/h5-6,9,11,15H,3-4,7H2,1-2H3,(H,16,18).
What are the key properties of 4-chloro-N-[[5-(dimethylcarbamoyl)oxolan-2-yl]methyl]-1H-pyrrole-2-carboxamide?
4-chloro-N-[[5-(dimethylcarbamoyl)oxolan-2-yl]methyl]-1H-pyrrole-2-carboxamide has a molecular weight of 299.76 g/mol, XLogP of 1.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[[5-(dimethylcarbamoyl)oxolan-2-yl]methyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 84598545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).