4-chloro-1-methyl-N-(3-methyl-2-oxobutyl)pyrrole-2-carboxamide

C11H15ClN2O2 — CID 86815804

IUPAC4-chloro-1-methyl-N-(3-methyl-2-oxobutyl)pyrrole-2-carboxamide
SMILESCC(C)C(=O)CNC(=O)c1cc(Cl)cn1C
InChIInChI=1S/C11H15ClN2O2/c1-7(2)10(15)5-13-11(16)9-4-8(12)6-14(9)3/h4,6-7H,5H2,1-3H3,(H,13,16)
InChIKeyNVRAYTNYRFOORH-UHFFFAOYSA-N
MW242.71 g/mol
LogP1.63
Rot. Bonds4

About 4-chloro-1-methyl-N-(3-methyl-2-oxobutyl)pyrrole-2-carboxamide

4-chloro-1-methyl-N-(3-methyl-2-oxobutyl)pyrrole-2-carboxamide (PubChem CID 86815804) has the molecular formula C11H15ClN2O2 and a molecular weight of 242.71 g/mol. Its IUPAC name is 4-chloro-1-methyl-N-(3-methyl-2-oxobutyl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-chloro-1-methyl-N-(3-methyl-2-oxobutyl)pyrrole-2-carboxamide
PubChem CID86815804
Molecular FormulaC11H15ClN2O2
Molecular Weight242.71 g/mol
Exact Mass242.08
IUPAC Name4-chloro-1-methyl-N-(3-methyl-2-oxobutyl)pyrrole-2-carboxamide
SMILESCC(C)C(=O)CNC(=O)c1cc(Cl)cn1C
InChIInChI=1S/C11H15ClN2O2/c1-7(2)10(15)5-13-11(16)9-4-8(12)6-14(9)3/h4,6-7H,5H2,1-3H3,(H,13,16)
InChIKeyNVRAYTNYRFOORH-UHFFFAOYSA-N
XLogP1.63
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-methyl-N-(3-methyl-2-oxobutyl)pyrrole-2-carboxamide?
The IUPAC name of 4-chloro-1-methyl-N-(3-methyl-2-oxobutyl)pyrrole-2-carboxamide (CID 86815804) is 4-chloro-1-methyl-N-(3-methyl-2-oxobutyl)pyrrole-2-carboxamide.
What is the SMILES notation for 4-chloro-1-methyl-N-(3-methyl-2-oxobutyl)pyrrole-2-carboxamide?
The canonical SMILES for 4-chloro-1-methyl-N-(3-methyl-2-oxobutyl)pyrrole-2-carboxamide is CC(C)C(=O)CNC(=O)c1cc(Cl)cn1C.
What is the InChIKey of 4-chloro-1-methyl-N-(3-methyl-2-oxobutyl)pyrrole-2-carboxamide?
The InChIKey is NVRAYTNYRFOORH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O2/c1-7(2)10(15)5-13-11(16)9-4-8(12)6-14(9)3/h4,6-7H,5H2,1-3H3,(H,13,16).
What are the key properties of 4-chloro-1-methyl-N-(3-methyl-2-oxobutyl)pyrrole-2-carboxamide?
4-chloro-1-methyl-N-(3-methyl-2-oxobutyl)pyrrole-2-carboxamide has a molecular weight of 242.71 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-methyl-N-(3-methyl-2-oxobutyl)pyrrole-2-carboxamide is sourced from PubChem (CID 86815804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).