N-cyclopropyl-1-[(6-fluoro-1-benzofuran-2-yl)methyl]indole-7-carboxamide

C21H17FN2O2 — CID 175071097

IUPACN-cyclopropyl-1-[(6-fluoro-1-benzofuran-2-yl)methyl]indole-7-carboxamide
SMILESO=C(NC1CC1)c1cccc2ccn(Cc3cc4ccc(F)cc4o3)c12
InChIInChI=1S/C21H17FN2O2/c22-15-5-4-14-10-17(26-19(14)11-15)12-24-9-8-13-2-1-3-18(20(13)24)21(25)23-16-6-7-16/h1-5,8-11,16H,6-7,12H2,(H,23,25)
InChIKeyVUKOGCNXJXUSQM-UHFFFAOYSA-N
MW348.38 g/mol
LogP4.47
Rot. Bonds4

About N-cyclopropyl-1-[(6-fluoro-1-benzofuran-2-yl)methyl]indole-7-carboxamide

N-cyclopropyl-1-[(6-fluoro-1-benzofuran-2-yl)methyl]indole-7-carboxamide (PubChem CID 175071097) has the molecular formula C21H17FN2O2 and a molecular weight of 348.38 g/mol. Its IUPAC name is N-cyclopropyl-1-[(6-fluoro-1-benzofuran-2-yl)methyl]indole-7-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-[(6-fluoro-1-benzofuran-2-yl)methyl]indole-7-carboxamide
PubChem CID175071097
Molecular FormulaC21H17FN2O2
Molecular Weight348.38 g/mol
Exact Mass348.13
IUPAC NameN-cyclopropyl-1-[(6-fluoro-1-benzofuran-2-yl)methyl]indole-7-carboxamide
SMILESO=C(NC1CC1)c1cccc2ccn(Cc3cc4ccc(F)cc4o3)c12
InChIInChI=1S/C21H17FN2O2/c22-15-5-4-14-10-17(26-19(14)11-15)12-24-9-8-13-2-1-3-18(20(13)24)21(25)23-16-6-7-16/h1-5,8-11,16H,6-7,12H2,(H,23,25)
InChIKeyVUKOGCNXJXUSQM-UHFFFAOYSA-N
XLogP4.47
TPSA47.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-[(6-fluoro-1-benzofuran-2-yl)methyl]indole-7-carboxamide?
The IUPAC name of N-cyclopropyl-1-[(6-fluoro-1-benzofuran-2-yl)methyl]indole-7-carboxamide (CID 175071097) is N-cyclopropyl-1-[(6-fluoro-1-benzofuran-2-yl)methyl]indole-7-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-[(6-fluoro-1-benzofuran-2-yl)methyl]indole-7-carboxamide?
The canonical SMILES for N-cyclopropyl-1-[(6-fluoro-1-benzofuran-2-yl)methyl]indole-7-carboxamide is O=C(NC1CC1)c1cccc2ccn(Cc3cc4ccc(F)cc4o3)c12.
What is the InChIKey of N-cyclopropyl-1-[(6-fluoro-1-benzofuran-2-yl)methyl]indole-7-carboxamide?
The InChIKey is VUKOGCNXJXUSQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN2O2/c22-15-5-4-14-10-17(26-19(14)11-15)12-24-9-8-13-2-1-3-18(20(13)24)21(25)23-16-6-7-16/h1-5,8-11,16H,6-7,12H2,(H,23,25).
What are the key properties of N-cyclopropyl-1-[(6-fluoro-1-benzofuran-2-yl)methyl]indole-7-carboxamide?
N-cyclopropyl-1-[(6-fluoro-1-benzofuran-2-yl)methyl]indole-7-carboxamide has a molecular weight of 348.38 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-[(6-fluoro-1-benzofuran-2-yl)methyl]indole-7-carboxamide is sourced from PubChem (CID 175071097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).