5-(4-bromophenyl)-1-(3-ethoxypropyl)-2,4-dimethylpyrrole-3-carboxamide

C18H23BrN2O2 — CID 3849913

IUPAC5-(4-bromophenyl)-1-(3-ethoxypropyl)-2,4-dimethylpyrrole-3-carboxamide
SMILESCCOCCCn1c(C)c(C(N)=O)c(C)c1-c1ccc(Br)cc1
InChIInChI=1S/C18H23BrN2O2/c1-4-23-11-5-10-21-13(3)16(18(20)22)12(2)17(21)14-6-8-15(19)9-7-14/h6-9H,4-5,10-11H2,1-3H3,(H2,20,22)
InChIKeyAHENVGKEFJKAPM-UHFFFAOYSA-N
MW379.30 g/mol
LogP4.06
Rot. Bonds7

About 5-(4-bromophenyl)-1-(3-ethoxypropyl)-2,4-dimethylpyrrole-3-carboxamide

5-(4-bromophenyl)-1-(3-ethoxypropyl)-2,4-dimethylpyrrole-3-carboxamide (PubChem CID 3849913) has the molecular formula C18H23BrN2O2 and a molecular weight of 379.30 g/mol. Its IUPAC name is 5-(4-bromophenyl)-1-(3-ethoxypropyl)-2,4-dimethylpyrrole-3-carboxamide.

Molecular Properties

Compound Name5-(4-bromophenyl)-1-(3-ethoxypropyl)-2,4-dimethylpyrrole-3-carboxamide
PubChem CID3849913
Molecular FormulaC18H23BrN2O2
Molecular Weight379.30 g/mol
Exact Mass378.09
IUPAC Name5-(4-bromophenyl)-1-(3-ethoxypropyl)-2,4-dimethylpyrrole-3-carboxamide
SMILESCCOCCCn1c(C)c(C(N)=O)c(C)c1-c1ccc(Br)cc1
InChIInChI=1S/C18H23BrN2O2/c1-4-23-11-5-10-21-13(3)16(18(20)22)12(2)17(21)14-6-8-15(19)9-7-14/h6-9H,4-5,10-11H2,1-3H3,(H2,20,22)
InChIKeyAHENVGKEFJKAPM-UHFFFAOYSA-N
XLogP4.06
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.30
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-1-(3-ethoxypropyl)-2,4-dimethylpyrrole-3-carboxamide?
The IUPAC name of 5-(4-bromophenyl)-1-(3-ethoxypropyl)-2,4-dimethylpyrrole-3-carboxamide (CID 3849913) is 5-(4-bromophenyl)-1-(3-ethoxypropyl)-2,4-dimethylpyrrole-3-carboxamide.
What is the SMILES notation for 5-(4-bromophenyl)-1-(3-ethoxypropyl)-2,4-dimethylpyrrole-3-carboxamide?
The canonical SMILES for 5-(4-bromophenyl)-1-(3-ethoxypropyl)-2,4-dimethylpyrrole-3-carboxamide is CCOCCCn1c(C)c(C(N)=O)c(C)c1-c1ccc(Br)cc1.
What is the InChIKey of 5-(4-bromophenyl)-1-(3-ethoxypropyl)-2,4-dimethylpyrrole-3-carboxamide?
The InChIKey is AHENVGKEFJKAPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23BrN2O2/c1-4-23-11-5-10-21-13(3)16(18(20)22)12(2)17(21)14-6-8-15(19)9-7-14/h6-9H,4-5,10-11H2,1-3H3,(H2,20,22).
What are the key properties of 5-(4-bromophenyl)-1-(3-ethoxypropyl)-2,4-dimethylpyrrole-3-carboxamide?
5-(4-bromophenyl)-1-(3-ethoxypropyl)-2,4-dimethylpyrrole-3-carboxamide has a molecular weight of 379.30 g/mol, XLogP of 4.06, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-1-(3-ethoxypropyl)-2,4-dimethylpyrrole-3-carboxamide is sourced from PubChem (CID 3849913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).