5-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-1-(4-morpholin-4-ylphenyl)pyrrole-2-carboxamide

C23H24ClN3O4 — CID 44545304

IUPAC5-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-1-(4-morpholin-4-ylphenyl)pyrrole-2-carboxamide
SMILESCCNC(=O)c1ccc(-c2cc(Cl)c(O)cc2O)n1-c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C23H24ClN3O4/c1-2-25-23(30)20-8-7-19(17-13-18(24)22(29)14-21(17)28)27(20)16-5-3-15(4-6-16)26-9-11-31-12-10-26/h3-8,13-14,28-29H,2,9-12H2,1H3,(H,25,30)
InChIKeyFGZCRFZHYXLFMB-UHFFFAOYSA-N
MW441.92 g/mol
LogP3.80
Rot. Bonds5

About 5-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-1-(4-morpholin-4-ylphenyl)pyrrole-2-carboxamide

5-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-1-(4-morpholin-4-ylphenyl)pyrrole-2-carboxamide (PubChem CID 44545304) has the molecular formula C23H24ClN3O4 and a molecular weight of 441.92 g/mol. Its IUPAC name is 5-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-1-(4-morpholin-4-ylphenyl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name5-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-1-(4-morpholin-4-ylphenyl)pyrrole-2-carboxamide
PubChem CID44545304
Molecular FormulaC23H24ClN3O4
Molecular Weight441.92 g/mol
Exact Mass441.15
IUPAC Name5-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-1-(4-morpholin-4-ylphenyl)pyrrole-2-carboxamide
SMILESCCNC(=O)c1ccc(-c2cc(Cl)c(O)cc2O)n1-c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C23H24ClN3O4/c1-2-25-23(30)20-8-7-19(17-13-18(24)22(29)14-21(17)28)27(20)16-5-3-15(4-6-16)26-9-11-31-12-10-26/h3-8,13-14,28-29H,2,9-12H2,1H3,(H,25,30)
InChIKeyFGZCRFZHYXLFMB-UHFFFAOYSA-N
XLogP3.80
TPSA86.96 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.92
LogP ≤ 53.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-1-(4-morpholin-4-ylphenyl)pyrrole-2-carboxamide?
The IUPAC name of 5-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-1-(4-morpholin-4-ylphenyl)pyrrole-2-carboxamide (CID 44545304) is 5-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-1-(4-morpholin-4-ylphenyl)pyrrole-2-carboxamide.
What is the SMILES notation for 5-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-1-(4-morpholin-4-ylphenyl)pyrrole-2-carboxamide?
The canonical SMILES for 5-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-1-(4-morpholin-4-ylphenyl)pyrrole-2-carboxamide is CCNC(=O)c1ccc(-c2cc(Cl)c(O)cc2O)n1-c1ccc(N2CCOCC2)cc1.
What is the InChIKey of 5-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-1-(4-morpholin-4-ylphenyl)pyrrole-2-carboxamide?
The InChIKey is FGZCRFZHYXLFMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN3O4/c1-2-25-23(30)20-8-7-19(17-13-18(24)22(29)14-21(17)28)27(20)16-5-3-15(4-6-16)26-9-11-31-12-10-26/h3-8,13-14,28-29H,2,9-12H2,1H3,(H,25,30).
What are the key properties of 5-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-1-(4-morpholin-4-ylphenyl)pyrrole-2-carboxamide?
5-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-1-(4-morpholin-4-ylphenyl)pyrrole-2-carboxamide has a molecular weight of 441.92 g/mol, XLogP of 3.80, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-1-(4-morpholin-4-ylphenyl)pyrrole-2-carboxamide is sourced from PubChem (CID 44545304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).