1-cyclopropyl-N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]pyrrole-2-carboxamide

C19H22N2O2 — CID 118775296

IUPAC1-cyclopropyl-N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]pyrrole-2-carboxamide
SMILESCC1(C)Cc2cc(CNC(=O)c3cccn3C3CC3)ccc2O1
InChIInChI=1S/C19H22N2O2/c1-19(2)11-14-10-13(5-8-17(14)23-19)12-20-18(22)16-4-3-9-21(16)15-6-7-15/h3-5,8-10,15H,6-7,11-12H2,1-2H3,(H,20,22)
InChIKeyPMSUJPALMHCTML-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.47
Rot. Bonds4

About 1-cyclopropyl-N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]pyrrole-2-carboxamide

1-cyclopropyl-N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]pyrrole-2-carboxamide (PubChem CID 118775296) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 1-cyclopropyl-N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name1-cyclopropyl-N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]pyrrole-2-carboxamide
PubChem CID118775296
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name1-cyclopropyl-N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]pyrrole-2-carboxamide
SMILESCC1(C)Cc2cc(CNC(=O)c3cccn3C3CC3)ccc2O1
InChIInChI=1S/C19H22N2O2/c1-19(2)11-14-10-13(5-8-17(14)23-19)12-20-18(22)16-4-3-9-21(16)15-6-7-15/h3-5,8-10,15H,6-7,11-12H2,1-2H3,(H,20,22)
InChIKeyPMSUJPALMHCTML-UHFFFAOYSA-N
XLogP3.47
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]pyrrole-2-carboxamide?
The IUPAC name of 1-cyclopropyl-N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]pyrrole-2-carboxamide (CID 118775296) is 1-cyclopropyl-N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]pyrrole-2-carboxamide.
What is the SMILES notation for 1-cyclopropyl-N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]pyrrole-2-carboxamide?
The canonical SMILES for 1-cyclopropyl-N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]pyrrole-2-carboxamide is CC1(C)Cc2cc(CNC(=O)c3cccn3C3CC3)ccc2O1.
What is the InChIKey of 1-cyclopropyl-N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]pyrrole-2-carboxamide?
The InChIKey is PMSUJPALMHCTML-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-19(2)11-14-10-13(5-8-17(14)23-19)12-20-18(22)16-4-3-9-21(16)15-6-7-15/h3-5,8-10,15H,6-7,11-12H2,1-2H3,(H,20,22).
What are the key properties of 1-cyclopropyl-N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]pyrrole-2-carboxamide?
1-cyclopropyl-N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]pyrrole-2-carboxamide has a molecular weight of 310.40 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]pyrrole-2-carboxamide is sourced from PubChem (CID 118775296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).