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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Related Compounds

1-[(4-chlorophenyl)methyl]-N-cyclopropylindole-7-carboxamide
CID 175076965
N-cyclopropyl-7-fluoro-2-oxochromene-3-carboxamide
CID 110486348
3-[1-[[1-(1-benzofuran-2-ylmethyl)-5-fluoroindole-7-carbonyl]amino]cyclopropyl]bicyclo[1.1.1]pentane-1-carboxylic acid
CID 177065463
1-[(4-fluorophenyl)methyl]indole-7-carboxylic acid
CID 58125316
2-amino-N-cyclopropyl-5-fluorobenzamide
CID 22493342
N-cyclopropyl-2,3-difluorobenzamide
CID 62648987
3-[1-[[1-[1-benzofuran-2-yl(deuterio)methyl]indole-7-carbonyl]amino]cyclopropyl]bicyclo[1.1.1]pentane-1-carboxylic acid
CID 157022173
5-[(6-fluoroindol-1-yl)methyl]-2-methylfuran-3-carbohydrazide
CID 63578845
N-cyclopropyl-2-[[2-(2,4-difluorophenyl)sulfanylacetyl]amino]benzamide
CID 9046628
6-fluoro-N-[1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]naphthalene-1-carboxamide
CID 167792952
2-[[1-[[4-(trifluoromethyl)phenyl]methyl]indole-7-carbonyl]amino]spiro[2.3]hexane-5-carboxylic acid
CID 155486123
N-[(3R)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-2-oxochromene-3-carboxamide
CID 42307840

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).