2-bromo-N-[4-[3-(dimethylamino)propanoylamino]phenyl]-4H-furo[3,2-b]pyrrole-5-carboxamide

C18H19BrN4O3 — CID 154877259

IUPAC2-bromo-N-[4-[3-(dimethylamino)propanoylamino]phenyl]-4H-furo[3,2-b]pyrrole-5-carboxamide
SMILESCN(C)CCC(=O)Nc1ccc(NC(=O)c2cc3oc(Br)cc3[nH]2)cc1
InChIInChI=1S/C18H19BrN4O3/c1-23(2)8-7-17(24)20-11-3-5-12(6-4-11)21-18(25)14-9-15-13(22-14)10-16(19)26-15/h3-6,9-10,22H,7-8H2,1-2H3,(H,20,24)(H,21,25)
InChIKeyOCQGZYHGTSEHOE-UHFFFAOYSA-N
MW419.28 g/mol
LogP3.67
Rot. Bonds6

About 2-bromo-N-[4-[3-(dimethylamino)propanoylamino]phenyl]-4H-furo[3,2-b]pyrrole-5-carboxamide

2-bromo-N-[4-[3-(dimethylamino)propanoylamino]phenyl]-4H-furo[3,2-b]pyrrole-5-carboxamide (PubChem CID 154877259) has the molecular formula C18H19BrN4O3 and a molecular weight of 419.28 g/mol. Its IUPAC name is 2-bromo-N-[4-[3-(dimethylamino)propanoylamino]phenyl]-4H-furo[3,2-b]pyrrole-5-carboxamide.

Molecular Properties

Compound Name2-bromo-N-[4-[3-(dimethylamino)propanoylamino]phenyl]-4H-furo[3,2-b]pyrrole-5-carboxamide
PubChem CID154877259
Molecular FormulaC18H19BrN4O3
Molecular Weight419.28 g/mol
Exact Mass418.06
IUPAC Name2-bromo-N-[4-[3-(dimethylamino)propanoylamino]phenyl]-4H-furo[3,2-b]pyrrole-5-carboxamide
SMILESCN(C)CCC(=O)Nc1ccc(NC(=O)c2cc3oc(Br)cc3[nH]2)cc1
InChIInChI=1S/C18H19BrN4O3/c1-23(2)8-7-17(24)20-11-3-5-12(6-4-11)21-18(25)14-9-15-13(22-14)10-16(19)26-15/h3-6,9-10,22H,7-8H2,1-2H3,(H,20,24)(H,21,25)
InChIKeyOCQGZYHGTSEHOE-UHFFFAOYSA-N
XLogP3.67
TPSA90.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.28
LogP ≤ 53.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[4-[3-(dimethylamino)propanoylamino]phenyl]-4H-furo[3,2-b]pyrrole-5-carboxamide?
The IUPAC name of 2-bromo-N-[4-[3-(dimethylamino)propanoylamino]phenyl]-4H-furo[3,2-b]pyrrole-5-carboxamide (CID 154877259) is 2-bromo-N-[4-[3-(dimethylamino)propanoylamino]phenyl]-4H-furo[3,2-b]pyrrole-5-carboxamide.
What is the SMILES notation for 2-bromo-N-[4-[3-(dimethylamino)propanoylamino]phenyl]-4H-furo[3,2-b]pyrrole-5-carboxamide?
The canonical SMILES for 2-bromo-N-[4-[3-(dimethylamino)propanoylamino]phenyl]-4H-furo[3,2-b]pyrrole-5-carboxamide is CN(C)CCC(=O)Nc1ccc(NC(=O)c2cc3oc(Br)cc3[nH]2)cc1.
What is the InChIKey of 2-bromo-N-[4-[3-(dimethylamino)propanoylamino]phenyl]-4H-furo[3,2-b]pyrrole-5-carboxamide?
The InChIKey is OCQGZYHGTSEHOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN4O3/c1-23(2)8-7-17(24)20-11-3-5-12(6-4-11)21-18(25)14-9-15-13(22-14)10-16(19)26-15/h3-6,9-10,22H,7-8H2,1-2H3,(H,20,24)(H,21,25).
What are the key properties of 2-bromo-N-[4-[3-(dimethylamino)propanoylamino]phenyl]-4H-furo[3,2-b]pyrrole-5-carboxamide?
2-bromo-N-[4-[3-(dimethylamino)propanoylamino]phenyl]-4H-furo[3,2-b]pyrrole-5-carboxamide has a molecular weight of 419.28 g/mol, XLogP of 3.67, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[4-[3-(dimethylamino)propanoylamino]phenyl]-4H-furo[3,2-b]pyrrole-5-carboxamide is sourced from PubChem (CID 154877259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).