cis-(1S,2R)-2-[2-(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)-2-methylpropyl]cyclopropane-1-carboxamide

C16H20FNO2 — CID 71084596

IUPACcis-(1S,2R)-2-[2-(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)-2-methylpropyl]cyclopropane-1-carboxamide
SMILESCC(C)(C[C@H]1C[C@@H]1C(N)=O)c1cc(F)cc2c1OCC2
InChIInChI=1S/C16H20FNO2/c1-16(2,8-10-6-12(10)15(18)19)13-7-11(17)5-9-3-4-20-14(9)13/h5,7,10,12H,3-4,6,8H2,1-2H3,(H2,18,19)/t10-,12+/m1/s1
InChIKeyGJOSQOQDYIOZRW-PWSUYJOCSA-N
MW277.34 g/mol
LogP2.55
Rot. Bonds4

About cis-(1S,2R)-2-[2-(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)-2-methylpropyl]cyclopropane-1-carboxamide

cis-(1S,2R)-2-[2-(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)-2-methylpropyl]cyclopropane-1-carboxamide (PubChem CID 71084596) has the molecular formula C16H20FNO2 and a molecular weight of 277.34 g/mol. Its IUPAC name is cis-(1S,2R)-2-[2-(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)-2-methylpropyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2R)-2-[2-(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)-2-methylpropyl]cyclopropane-1-carboxamide
PubChem CID71084596
Molecular FormulaC16H20FNO2
Molecular Weight277.34 g/mol
Exact Mass277.15
IUPAC Namecis-(1S,2R)-2-[2-(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)-2-methylpropyl]cyclopropane-1-carboxamide
SMILESCC(C)(C[C@H]1C[C@@H]1C(N)=O)c1cc(F)cc2c1OCC2
InChIInChI=1S/C16H20FNO2/c1-16(2,8-10-6-12(10)15(18)19)13-7-11(17)5-9-3-4-20-14(9)13/h5,7,10,12H,3-4,6,8H2,1-2H3,(H2,18,19)/t10-,12+/m1/s1
InChIKeyGJOSQOQDYIOZRW-PWSUYJOCSA-N
XLogP2.55
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-[2-(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)-2-methylpropyl]cyclopropane-1-carboxamide?
The IUPAC name of cis-(1S,2R)-2-[2-(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)-2-methylpropyl]cyclopropane-1-carboxamide (CID 71084596) is cis-(1S,2R)-2-[2-(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)-2-methylpropyl]cyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1S,2R)-2-[2-(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)-2-methylpropyl]cyclopropane-1-carboxamide?
The canonical SMILES for cis-(1S,2R)-2-[2-(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)-2-methylpropyl]cyclopropane-1-carboxamide is CC(C)(C[C@H]1C[C@@H]1C(N)=O)c1cc(F)cc2c1OCC2.
What is the InChIKey of cis-(1S,2R)-2-[2-(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)-2-methylpropyl]cyclopropane-1-carboxamide?
The InChIKey is GJOSQOQDYIOZRW-PWSUYJOCSA-N. The full InChI is InChI=1S/C16H20FNO2/c1-16(2,8-10-6-12(10)15(18)19)13-7-11(17)5-9-3-4-20-14(9)13/h5,7,10,12H,3-4,6,8H2,1-2H3,(H2,18,19)/t10-,12+/m1/s1.
What are the key properties of cis-(1S,2R)-2-[2-(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)-2-methylpropyl]cyclopropane-1-carboxamide?
cis-(1S,2R)-2-[2-(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)-2-methylpropyl]cyclopropane-1-carboxamide has a molecular weight of 277.34 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-[2-(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)-2-methylpropyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 71084596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).