3-amino-N-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide

C18H21FN2O2 — CID 119754051

IUPAC3-amino-N-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESCc1c(CNC(=O)C2C3CCC(C3)C2N)oc2ccc(F)cc12
InChIInChI=1S/C18H21FN2O2/c1-9-13-7-12(19)4-5-14(13)23-15(9)8-21-18(22)16-10-2-3-11(6-10)17(16)20/h4-5,7,10-11,16-17H,2-3,6,8,20H2,1H3,(H,21,22)
InChIKeyFTIHMBXOSGNSPC-UHFFFAOYSA-N
MW316.38 g/mol
LogP2.87
Rot. Bonds3

About 3-amino-N-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide

3-amino-N-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 119754051) has the molecular formula C18H21FN2O2 and a molecular weight of 316.38 g/mol. Its IUPAC name is 3-amino-N-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide
PubChem CID119754051
Molecular FormulaC18H21FN2O2
Molecular Weight316.38 g/mol
Exact Mass316.16
IUPAC Name3-amino-N-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESCc1c(CNC(=O)C2C3CCC(C3)C2N)oc2ccc(F)cc12
InChIInChI=1S/C18H21FN2O2/c1-9-13-7-12(19)4-5-14(13)23-15(9)8-21-18(22)16-10-2-3-11(6-10)17(16)20/h4-5,7,10-11,16-17H,2-3,6,8,20H2,1H3,(H,21,22)
InChIKeyFTIHMBXOSGNSPC-UHFFFAOYSA-N
XLogP2.87
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of 3-amino-N-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide (CID 119754051) is 3-amino-N-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for 3-amino-N-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for 3-amino-N-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide is Cc1c(CNC(=O)C2C3CCC(C3)C2N)oc2ccc(F)cc12.
What is the InChIKey of 3-amino-N-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is FTIHMBXOSGNSPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O2/c1-9-13-7-12(19)4-5-14(13)23-15(9)8-21-18(22)16-10-2-3-11(6-10)17(16)20/h4-5,7,10-11,16-17H,2-3,6,8,20H2,1H3,(H,21,22).
What are the key properties of 3-amino-N-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide?
3-amino-N-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 316.38 g/mol, XLogP of 2.87, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 119754051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).