(7-chloro-1-benzofuran-2-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone

C16H18ClNO2 — CID 106982166

IUPAC(7-chloro-1-benzofuran-2-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone
SMILESCC(C)C1(C(=O)c2cc3cccc(Cl)c3o2)CCNC1
InChIInChI=1S/C16H18ClNO2/c1-10(2)16(6-7-18-9-16)15(19)13-8-11-4-3-5-12(17)14(11)20-13/h3-5,8,10,18H,6-7,9H2,1-2H3
InChIKeyFQMCJFXZWQHLSD-UHFFFAOYSA-N
MW291.78 g/mol
LogP3.90
Rot. Bonds3

About (7-chloro-1-benzofuran-2-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone

(7-chloro-1-benzofuran-2-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone (PubChem CID 106982166) has the molecular formula C16H18ClNO2 and a molecular weight of 291.78 g/mol. Its IUPAC name is (7-chloro-1-benzofuran-2-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone.

Molecular Properties

Compound Name(7-chloro-1-benzofuran-2-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone
PubChem CID106982166
Molecular FormulaC16H18ClNO2
Molecular Weight291.78 g/mol
Exact Mass291.10
IUPAC Name(7-chloro-1-benzofuran-2-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone
SMILESCC(C)C1(C(=O)c2cc3cccc(Cl)c3o2)CCNC1
InChIInChI=1S/C16H18ClNO2/c1-10(2)16(6-7-18-9-16)15(19)13-8-11-4-3-5-12(17)14(11)20-13/h3-5,8,10,18H,6-7,9H2,1-2H3
InChIKeyFQMCJFXZWQHLSD-UHFFFAOYSA-N
XLogP3.90
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(7-chloro-1-benzofuran-2-yl)-(3-methylpiperidin-3-yl)methanone
CID 114736552
propan-2-yl 7-chloro-1-benzofuran-2-carboxylate
CID 135394390
(3-propan-2-yloxyphenyl)-(3-propan-2-ylpyrrolidin-3-yl)methanone
CID 106982068
N-(2-chloro-6-fluorophenyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106981315
(2,3-dimethylphenyl)-(3-propan-2-ylpyrrolidin-3-yl)methanone
CID 106982352
1-(7-chloro-1-benzofuran-2-yl)-2-methyl-2-pyrrolidin-1-ylpropan-1-one
CID 114725597
7-chloro-N-methyl-1-benzofuran-2-carboxamide
CID 84586183
1-(7-chloro-1-benzofuran-2-yl)-2-ethylbutan-1-one
CID 115810703
(3-chlorophenyl)methyl 3-propan-2-ylpyrrolidine-3-carboxylate
CID 106983587
2-(azetidin-3-yl)-1-(7-chloro-1-benzofuran-2-yl)ethanone
CID 114736812
1-(7-chloro-1-benzofuran-2-yl)-3-methoxybutan-1-one
CID 114726061
(7-chloro-1-benzofuran-2-yl)-(5-chlorothiophen-2-yl)methanone
CID 112614526

Frequently Asked Questions

What is the IUPAC name of (7-chloro-1-benzofuran-2-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone?
The IUPAC name of (7-chloro-1-benzofuran-2-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone (CID 106982166) is (7-chloro-1-benzofuran-2-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone.
What is the SMILES notation for (7-chloro-1-benzofuran-2-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone?
The canonical SMILES for (7-chloro-1-benzofuran-2-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone is CC(C)C1(C(=O)c2cc3cccc(Cl)c3o2)CCNC1.
What is the InChIKey of (7-chloro-1-benzofuran-2-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone?
The InChIKey is FQMCJFXZWQHLSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO2/c1-10(2)16(6-7-18-9-16)15(19)13-8-11-4-3-5-12(17)14(11)20-13/h3-5,8,10,18H,6-7,9H2,1-2H3.
What are the key properties of (7-chloro-1-benzofuran-2-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone?
(7-chloro-1-benzofuran-2-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone has a molecular weight of 291.78 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7-chloro-1-benzofuran-2-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone is sourced from PubChem (CID 106982166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).