7-fluoro-N-[2-(1H-indol-3-yl)ethyl]-3-methyl-1-benzofuran-2-carboxamide

C20H17FN2O2 — CID 8832763

IUPAC7-fluoro-N-[2-(1H-indol-3-yl)ethyl]-3-methyl-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)NCCc2c[nH]c3ccccc23)oc2c(F)cccc12
InChIInChI=1S/C20H17FN2O2/c1-12-14-6-4-7-16(21)19(14)25-18(12)20(24)22-10-9-13-11-23-17-8-3-2-5-15(13)17/h2-8,11,23H,9-10H2,1H3,(H,22,24)
InChIKeyFEVXFWVNOQVLNT-UHFFFAOYSA-N
MW336.37 g/mol
LogP4.33
Rot. Bonds4

About 7-fluoro-N-[2-(1H-indol-3-yl)ethyl]-3-methyl-1-benzofuran-2-carboxamide

7-fluoro-N-[2-(1H-indol-3-yl)ethyl]-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 8832763) has the molecular formula C20H17FN2O2 and a molecular weight of 336.37 g/mol. Its IUPAC name is 7-fluoro-N-[2-(1H-indol-3-yl)ethyl]-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name7-fluoro-N-[2-(1H-indol-3-yl)ethyl]-3-methyl-1-benzofuran-2-carboxamide
PubChem CID8832763
Molecular FormulaC20H17FN2O2
Molecular Weight336.37 g/mol
Exact Mass336.13
IUPAC Name7-fluoro-N-[2-(1H-indol-3-yl)ethyl]-3-methyl-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)NCCc2c[nH]c3ccccc23)oc2c(F)cccc12
InChIInChI=1S/C20H17FN2O2/c1-12-14-6-4-7-16(21)19(14)25-18(12)20(24)22-10-9-13-11-23-17-8-3-2-5-15(13)17/h2-8,11,23H,9-10H2,1H3,(H,22,24)
InChIKeyFEVXFWVNOQVLNT-UHFFFAOYSA-N
XLogP4.33
TPSA58.03 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(1H-indol-3-yl)ethyl]-3-methylbenzo[g][1]benzofuran-2-carboxamide
CID 27644530
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3,5,7-trimethyl-1-benzofuran-2-carboxamide
CID 4899000
1-N,4-N-bis[2-(1H-indol-3-yl)ethyl]benzene-1,4-dicarboxamide
CID 42988811
N-[2-(1H-indol-3-yl)ethyl]-2,4,6-trimethylpyrimidine-5-carboxamide
CID 110853427
N-[2-(1,3-benzothiazol-2-yl)ethyl]-7-fluoro-3-methyl-1-benzofuran-2-carboxamide
CID 46823876
2-(2-fluoroanilino)-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 162373909
3-bromo-2-(bromomethyl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 100943042
N'-[(2-fluorophenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]oxamide
CID 108531516
N-[2-(1H-indol-3-yl)ethyl]-2-methyl-1H-pyrrole-3-carboxamide
CID 110695717
N-[2-(1H-indol-3-yl)ethyl]-3-methyl-1-benzothiophene-2-carboxamide
CID 27645794
1-(2-fluorophenyl)-N-[2-(1H-indol-3-yl)ethyl]-6-methyl-4-oxopyridazine-3-carboxamide
CID 9268115
5-bromo-N-[2-(1H-indol-3-yl)ethyl]furan-2-carboxamide
CID 4792773

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-N-[2-(1H-indol-3-yl)ethyl]-3-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of 7-fluoro-N-[2-(1H-indol-3-yl)ethyl]-3-methyl-1-benzofuran-2-carboxamide (CID 8832763) is 7-fluoro-N-[2-(1H-indol-3-yl)ethyl]-3-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for 7-fluoro-N-[2-(1H-indol-3-yl)ethyl]-3-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for 7-fluoro-N-[2-(1H-indol-3-yl)ethyl]-3-methyl-1-benzofuran-2-carboxamide is Cc1c(C(=O)NCCc2c[nH]c3ccccc23)oc2c(F)cccc12.
What is the InChIKey of 7-fluoro-N-[2-(1H-indol-3-yl)ethyl]-3-methyl-1-benzofuran-2-carboxamide?
The InChIKey is FEVXFWVNOQVLNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2O2/c1-12-14-6-4-7-16(21)19(14)25-18(12)20(24)22-10-9-13-11-23-17-8-3-2-5-15(13)17/h2-8,11,23H,9-10H2,1H3,(H,22,24).
What are the key properties of 7-fluoro-N-[2-(1H-indol-3-yl)ethyl]-3-methyl-1-benzofuran-2-carboxamide?
7-fluoro-N-[2-(1H-indol-3-yl)ethyl]-3-methyl-1-benzofuran-2-carboxamide has a molecular weight of 336.37 g/mol, XLogP of 4.33, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-N-[2-(1H-indol-3-yl)ethyl]-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 8832763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).