4-chloro-N-(2-hydroxypropyl)-N-methyl-1-propan-2-ylpyrrole-2-carboxamide

C12H19ClN2O2 — CID 62335560

IUPAC4-chloro-N-(2-hydroxypropyl)-N-methyl-1-propan-2-ylpyrrole-2-carboxamide
SMILESCC(O)CN(C)C(=O)c1cc(Cl)cn1C(C)C
InChIInChI=1S/C12H19ClN2O2/c1-8(2)15-7-10(13)5-11(15)12(17)14(4)6-9(3)16/h5,7-9,16H,6H2,1-4H3
InChIKeyJNSQHJGZDLMKOL-UHFFFAOYSA-N
MW258.75 g/mol
LogP2.18
Rot. Bonds4

About 4-chloro-N-(2-hydroxypropyl)-N-methyl-1-propan-2-ylpyrrole-2-carboxamide

4-chloro-N-(2-hydroxypropyl)-N-methyl-1-propan-2-ylpyrrole-2-carboxamide (PubChem CID 62335560) has the molecular formula C12H19ClN2O2 and a molecular weight of 258.75 g/mol. Its IUPAC name is 4-chloro-N-(2-hydroxypropyl)-N-methyl-1-propan-2-ylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(2-hydroxypropyl)-N-methyl-1-propan-2-ylpyrrole-2-carboxamide
PubChem CID62335560
Molecular FormulaC12H19ClN2O2
Molecular Weight258.75 g/mol
Exact Mass258.11
IUPAC Name4-chloro-N-(2-hydroxypropyl)-N-methyl-1-propan-2-ylpyrrole-2-carboxamide
SMILESCC(O)CN(C)C(=O)c1cc(Cl)cn1C(C)C
InChIInChI=1S/C12H19ClN2O2/c1-8(2)15-7-10(13)5-11(15)12(17)14(4)6-9(3)16/h5,7-9,16H,6H2,1-4H3
InChIKeyJNSQHJGZDLMKOL-UHFFFAOYSA-N
XLogP2.18
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.75
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-hydroxypropyl)-N-methyl-1-propan-2-ylpyrrole-2-carboxamide?
The IUPAC name of 4-chloro-N-(2-hydroxypropyl)-N-methyl-1-propan-2-ylpyrrole-2-carboxamide (CID 62335560) is 4-chloro-N-(2-hydroxypropyl)-N-methyl-1-propan-2-ylpyrrole-2-carboxamide.
What is the SMILES notation for 4-chloro-N-(2-hydroxypropyl)-N-methyl-1-propan-2-ylpyrrole-2-carboxamide?
The canonical SMILES for 4-chloro-N-(2-hydroxypropyl)-N-methyl-1-propan-2-ylpyrrole-2-carboxamide is CC(O)CN(C)C(=O)c1cc(Cl)cn1C(C)C.
What is the InChIKey of 4-chloro-N-(2-hydroxypropyl)-N-methyl-1-propan-2-ylpyrrole-2-carboxamide?
The InChIKey is JNSQHJGZDLMKOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2O2/c1-8(2)15-7-10(13)5-11(15)12(17)14(4)6-9(3)16/h5,7-9,16H,6H2,1-4H3.
What are the key properties of 4-chloro-N-(2-hydroxypropyl)-N-methyl-1-propan-2-ylpyrrole-2-carboxamide?
4-chloro-N-(2-hydroxypropyl)-N-methyl-1-propan-2-ylpyrrole-2-carboxamide has a molecular weight of 258.75 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-hydroxypropyl)-N-methyl-1-propan-2-ylpyrrole-2-carboxamide is sourced from PubChem (CID 62335560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).