(5-chloro-1-benzofuran-2-yl)-(2,3-dihydro-1H-isoindol-5-yl)methanone

C17H12ClNO2 — CID 114737396

IUPAC(5-chloro-1-benzofuran-2-yl)-(2,3-dihydro-1H-isoindol-5-yl)methanone
SMILESO=C(c1ccc2c(c1)CNC2)c1cc2cc(Cl)ccc2o1
InChIInChI=1S/C17H12ClNO2/c18-14-3-4-15-12(6-14)7-16(21-15)17(20)10-1-2-11-8-19-9-13(11)5-10/h1-7,19H,8-9H2
InChIKeyPWBMYDYPMMTEKB-UHFFFAOYSA-N
MW297.74 g/mol
LogP3.92
Rot. Bonds2

About (5-chloro-1-benzofuran-2-yl)-(2,3-dihydro-1H-isoindol-5-yl)methanone

(5-chloro-1-benzofuran-2-yl)-(2,3-dihydro-1H-isoindol-5-yl)methanone (PubChem CID 114737396) has the molecular formula C17H12ClNO2 and a molecular weight of 297.74 g/mol. Its IUPAC name is (5-chloro-1-benzofuran-2-yl)-(2,3-dihydro-1H-isoindol-5-yl)methanone.

Molecular Properties

Compound Name(5-chloro-1-benzofuran-2-yl)-(2,3-dihydro-1H-isoindol-5-yl)methanone
PubChem CID114737396
Molecular FormulaC17H12ClNO2
Molecular Weight297.74 g/mol
Exact Mass297.06
IUPAC Name(5-chloro-1-benzofuran-2-yl)-(2,3-dihydro-1H-isoindol-5-yl)methanone
SMILESO=C(c1ccc2c(c1)CNC2)c1cc2cc(Cl)ccc2o1
InChIInChI=1S/C17H12ClNO2/c18-14-3-4-15-12(6-14)7-16(21-15)17(20)10-1-2-11-8-19-9-13(11)5-10/h1-7,19H,8-9H2
InChIKeyPWBMYDYPMMTEKB-UHFFFAOYSA-N
XLogP3.92
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.74
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-chloro-1-benzofuran-2-yl)-(4-chloro-3-fluorophenyl)methanone
CID 107996739
(5-chloro-1-benzofuran-2-yl)-(5-chloro-2-fluorophenyl)methanone
CID 114885265
(5-chloro-1-benzofuran-2-yl)-(2-methyl-4-pyridinyl)methanone
CID 106754789
(2-amino-4-bromophenyl)-(5-chloro-1-benzofuran-2-yl)methanone
CID 114736998
5-chloro-1-benzofuran-2-carboxylate
CID 6956015
(5-chloro-1-benzofuran-2-yl)-(5-methylfuran-2-yl)methanone
CID 29076016
(5-chloro-1-benzofuran-2-yl)-(2-methylfuran-3-yl)methanone
CID 114726089
(4-chlorophenyl)-(5-methoxy-1-benzofuran-2-yl)methanone
CID 2797594
N-[1-[4-(5-chloro-1-benzofuran-2-carbonyl)phenyl]ethyl]acetamide
CID 17496216
3-bicyclo[3.1.0]hexanyl-(5-chloro-1-benzofuran-2-yl)methanone
CID 115808599
(5-chloro-1-benzofuran-2-yl)-(2H-triazol-4-yl)methanone
CID 114725842
(E)-3-[2-(4-chlorobenzoyl)-1-benzofuran-5-yl]-2-methylprop-2-enoic acid
CID 170873364

Frequently Asked Questions

What is the IUPAC name of (5-chloro-1-benzofuran-2-yl)-(2,3-dihydro-1H-isoindol-5-yl)methanone?
The IUPAC name of (5-chloro-1-benzofuran-2-yl)-(2,3-dihydro-1H-isoindol-5-yl)methanone (CID 114737396) is (5-chloro-1-benzofuran-2-yl)-(2,3-dihydro-1H-isoindol-5-yl)methanone.
What is the SMILES notation for (5-chloro-1-benzofuran-2-yl)-(2,3-dihydro-1H-isoindol-5-yl)methanone?
The canonical SMILES for (5-chloro-1-benzofuran-2-yl)-(2,3-dihydro-1H-isoindol-5-yl)methanone is O=C(c1ccc2c(c1)CNC2)c1cc2cc(Cl)ccc2o1.
What is the InChIKey of (5-chloro-1-benzofuran-2-yl)-(2,3-dihydro-1H-isoindol-5-yl)methanone?
The InChIKey is PWBMYDYPMMTEKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClNO2/c18-14-3-4-15-12(6-14)7-16(21-15)17(20)10-1-2-11-8-19-9-13(11)5-10/h1-7,19H,8-9H2.
What are the key properties of (5-chloro-1-benzofuran-2-yl)-(2,3-dihydro-1H-isoindol-5-yl)methanone?
(5-chloro-1-benzofuran-2-yl)-(2,3-dihydro-1H-isoindol-5-yl)methanone has a molecular weight of 297.74 g/mol, XLogP of 3.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-1-benzofuran-2-yl)-(2,3-dihydro-1H-isoindol-5-yl)methanone is sourced from PubChem (CID 114737396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).