N-butyl-4-chloro-N-(2-hydroxyethyl)-1-propylpyrrole-2-carboxamide

C14H23ClN2O2 — CID 61448259

IUPACN-butyl-4-chloro-N-(2-hydroxyethyl)-1-propylpyrrole-2-carboxamide
SMILESCCCCN(CCO)C(=O)c1cc(Cl)cn1CCC
InChIInChI=1S/C14H23ClN2O2/c1-3-5-7-16(8-9-18)14(19)13-10-12(15)11-17(13)6-4-2/h10-11,18H,3-9H2,1-2H3
InChIKeyKPRSBZOQYPVRFP-UHFFFAOYSA-N
MW286.80 g/mol
LogP2.79
Rot. Bonds8

About N-butyl-4-chloro-N-(2-hydroxyethyl)-1-propylpyrrole-2-carboxamide

N-butyl-4-chloro-N-(2-hydroxyethyl)-1-propylpyrrole-2-carboxamide (PubChem CID 61448259) has the molecular formula C14H23ClN2O2 and a molecular weight of 286.80 g/mol. Its IUPAC name is N-butyl-4-chloro-N-(2-hydroxyethyl)-1-propylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-butyl-4-chloro-N-(2-hydroxyethyl)-1-propylpyrrole-2-carboxamide
PubChem CID61448259
Molecular FormulaC14H23ClN2O2
Molecular Weight286.80 g/mol
Exact Mass286.14
IUPAC NameN-butyl-4-chloro-N-(2-hydroxyethyl)-1-propylpyrrole-2-carboxamide
SMILESCCCCN(CCO)C(=O)c1cc(Cl)cn1CCC
InChIInChI=1S/C14H23ClN2O2/c1-3-5-7-16(8-9-18)14(19)13-10-12(15)11-17(13)6-4-2/h10-11,18H,3-9H2,1-2H3
InChIKeyKPRSBZOQYPVRFP-UHFFFAOYSA-N
XLogP2.79
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.80
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-butyl-4-chloro-N-(2-hydroxyethyl)-1-propylpyrrole-2-carboxamide?
The IUPAC name of N-butyl-4-chloro-N-(2-hydroxyethyl)-1-propylpyrrole-2-carboxamide (CID 61448259) is N-butyl-4-chloro-N-(2-hydroxyethyl)-1-propylpyrrole-2-carboxamide.
What is the SMILES notation for N-butyl-4-chloro-N-(2-hydroxyethyl)-1-propylpyrrole-2-carboxamide?
The canonical SMILES for N-butyl-4-chloro-N-(2-hydroxyethyl)-1-propylpyrrole-2-carboxamide is CCCCN(CCO)C(=O)c1cc(Cl)cn1CCC.
What is the InChIKey of N-butyl-4-chloro-N-(2-hydroxyethyl)-1-propylpyrrole-2-carboxamide?
The InChIKey is KPRSBZOQYPVRFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN2O2/c1-3-5-7-16(8-9-18)14(19)13-10-12(15)11-17(13)6-4-2/h10-11,18H,3-9H2,1-2H3.
What are the key properties of N-butyl-4-chloro-N-(2-hydroxyethyl)-1-propylpyrrole-2-carboxamide?
N-butyl-4-chloro-N-(2-hydroxyethyl)-1-propylpyrrole-2-carboxamide has a molecular weight of 286.80 g/mol, XLogP of 2.79, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-chloro-N-(2-hydroxyethyl)-1-propylpyrrole-2-carboxamide is sourced from PubChem (CID 61448259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).