N-[[7-(2,6-dichlorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]cyclopropanamine

C18H16Cl2FNO — CID 11360134

IUPACN-[[7-(2,6-dichlorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]cyclopropanamine
SMILESFc1cc2c(c(-c3c(Cl)cccc3Cl)c1)OC(CNC1CC1)C2
InChIInChI=1S/C18H16Cl2FNO/c19-15-2-1-3-16(20)17(15)14-8-11(21)6-10-7-13(23-18(10)14)9-22-12-4-5-12/h1-3,6,8,12-13,22H,4-5,7,9H2
InChIKeyUHCNNWUBRRDRRT-UHFFFAOYSA-N
MW352.24 g/mol
LogP4.86
Rot. Bonds4

About N-[[7-(2,6-dichlorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]cyclopropanamine

N-[[7-(2,6-dichlorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]cyclopropanamine (PubChem CID 11360134) has the molecular formula C18H16Cl2FNO and a molecular weight of 352.24 g/mol. Its IUPAC name is N-[[7-(2,6-dichlorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[7-(2,6-dichlorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]cyclopropanamine
PubChem CID11360134
Molecular FormulaC18H16Cl2FNO
Molecular Weight352.24 g/mol
Exact Mass351.06
IUPAC NameN-[[7-(2,6-dichlorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]cyclopropanamine
SMILESFc1cc2c(c(-c3c(Cl)cccc3Cl)c1)OC(CNC1CC1)C2
InChIInChI=1S/C18H16Cl2FNO/c19-15-2-1-3-16(20)17(15)14-8-11(21)6-10-7-13(23-18(10)14)9-22-12-4-5-12/h1-3,6,8,12-13,22H,4-5,7,9H2
InChIKeyUHCNNWUBRRDRRT-UHFFFAOYSA-N
XLogP4.86
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.24
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[7-(2,6-dichlorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[7-(2,6-dichlorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]cyclopropanamine (CID 11360134) is N-[[7-(2,6-dichlorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[7-(2,6-dichlorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[7-(2,6-dichlorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]cyclopropanamine is Fc1cc2c(c(-c3c(Cl)cccc3Cl)c1)OC(CNC1CC1)C2.
What is the InChIKey of N-[[7-(2,6-dichlorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]cyclopropanamine?
The InChIKey is UHCNNWUBRRDRRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2FNO/c19-15-2-1-3-16(20)17(15)14-8-11(21)6-10-7-13(23-18(10)14)9-22-12-4-5-12/h1-3,6,8,12-13,22H,4-5,7,9H2.
What are the key properties of N-[[7-(2,6-dichlorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]cyclopropanamine?
N-[[7-(2,6-dichlorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]cyclopropanamine has a molecular weight of 352.24 g/mol, XLogP of 4.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[7-(2,6-dichlorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 11360134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).