2-amino-5-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1H-pyrrole-3-carboxamide

C13H12ClN3O2 — CID 58294013

IUPAC2-amino-5-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1H-pyrrole-3-carboxamide
SMILESNC(=O)c1cc(-c2cc(Cl)cc3c2OCC3)[nH]c1N
InChIInChI=1S/C13H12ClN3O2/c14-7-3-6-1-2-19-11(6)8(4-7)10-5-9(13(16)18)12(15)17-10/h3-5,17H,1-2,15H2,(H2,16,18)
InChIKeyNHVLJWOVGUOFAR-UHFFFAOYSA-N
MW277.71 g/mol
LogP1.95
Rot. Bonds2

About 2-amino-5-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1H-pyrrole-3-carboxamide

2-amino-5-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1H-pyrrole-3-carboxamide (PubChem CID 58294013) has the molecular formula C13H12ClN3O2 and a molecular weight of 277.71 g/mol. Its IUPAC name is 2-amino-5-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name2-amino-5-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1H-pyrrole-3-carboxamide
PubChem CID58294013
Molecular FormulaC13H12ClN3O2
Molecular Weight277.71 g/mol
Exact Mass277.06
IUPAC Name2-amino-5-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1H-pyrrole-3-carboxamide
SMILESNC(=O)c1cc(-c2cc(Cl)cc3c2OCC3)[nH]c1N
InChIInChI=1S/C13H12ClN3O2/c14-7-3-6-1-2-19-11(6)8(4-7)10-5-9(13(16)18)12(15)17-10/h3-5,17H,1-2,15H2,(H2,16,18)
InChIKeyNHVLJWOVGUOFAR-UHFFFAOYSA-N
XLogP1.95
TPSA94.13 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.71
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-amino-5-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1H-pyrrole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1H-pyrrole-3-carboxamide?
The IUPAC name of 2-amino-5-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1H-pyrrole-3-carboxamide (CID 58294013) is 2-amino-5-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1H-pyrrole-3-carboxamide.
What is the SMILES notation for 2-amino-5-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1H-pyrrole-3-carboxamide?
The canonical SMILES for 2-amino-5-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1H-pyrrole-3-carboxamide is NC(=O)c1cc(-c2cc(Cl)cc3c2OCC3)[nH]c1N.
What is the InChIKey of 2-amino-5-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1H-pyrrole-3-carboxamide?
The InChIKey is NHVLJWOVGUOFAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O2/c14-7-3-6-1-2-19-11(6)8(4-7)10-5-9(13(16)18)12(15)17-10/h3-5,17H,1-2,15H2,(H2,16,18).
What are the key properties of 2-amino-5-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1H-pyrrole-3-carboxamide?
2-amino-5-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1H-pyrrole-3-carboxamide has a molecular weight of 277.71 g/mol, XLogP of 1.95, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 58294013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).