(7-chloro-3-methyl-1-benzofuran-2-yl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride

C16H20Cl2N2O2 — CID 119539471

IUPAC(7-chloro-3-methyl-1-benzofuran-2-yl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
SMILESCNCC1CCN(C(=O)c2oc3c(Cl)cccc3c2C)C1.Cl
InChIInChI=1S/C16H19ClN2O2.ClH/c1-10-12-4-3-5-13(17)15(12)21-14(10)16(20)19-7-6-11(9-19)8-18-2;/h3-5,11,18H,6-9H2,1-2H3;1H
InChIKeyWQTGIUTYFVFDIK-UHFFFAOYSA-N
MW343.25 g/mol
LogP3.50
Rot. Bonds3

About (7-chloro-3-methyl-1-benzofuran-2-yl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride

(7-chloro-3-methyl-1-benzofuran-2-yl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride (PubChem CID 119539471) has the molecular formula C16H20Cl2N2O2 and a molecular weight of 343.25 g/mol. Its IUPAC name is (7-chloro-3-methyl-1-benzofuran-2-yl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Name(7-chloro-3-methyl-1-benzofuran-2-yl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
PubChem CID119539471
Molecular FormulaC16H20Cl2N2O2
Molecular Weight343.25 g/mol
Exact Mass342.09
IUPAC Name(7-chloro-3-methyl-1-benzofuran-2-yl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
SMILESCNCC1CCN(C(=O)c2oc3c(Cl)cccc3c2C)C1.Cl
InChIInChI=1S/C16H19ClN2O2.ClH/c1-10-12-4-3-5-13(17)15(12)21-14(10)16(20)19-7-6-11(9-19)8-18-2;/h3-5,11,18H,6-9H2,1-2H3;1H
InChIKeyWQTGIUTYFVFDIK-UHFFFAOYSA-N
XLogP3.50
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.25
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(3R)-3-aminopyrrolidin-1-yl]-(7-chloro-3-methyl-1-benzofuran-2-yl)methanone
CID 119410350
(7-chloro-3-methyl-1-benzofuran-2-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 110878437
azetidin-1-yl-(7-chloro-3-methyl-1-benzofuran-2-yl)methanone
CID 17439317
[3-(methylaminomethyl)piperidin-1-yl]-(3-methyl-1-benzofuran-2-yl)methanone;hydrochloride
CID 119398830
2-(2,6-dichlorophenyl)-1-[3-(methylaminomethyl)pyrrolidin-1-yl]ethanone;hydrochloride
CID 119542039
(7-chloro-3-methyl-1-benzofuran-2-yl)-(4-propylpiperazin-1-yl)methanone
CID 9440318
(5-chloro-3-methyl-1-benzofuran-2-yl)-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119544572
[3-(methylaminomethyl)pyrrolidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone
CID 81478651
N-[1-(7-chloro-3-methyl-1-benzofuran-2-carbonyl)piperidin-4-yl]-4-fluorobenzamide
CID 46592936
1-(7-chloro-3-methyl-1-benzofuran-2-carbonyl)-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide
CID 55818612
2-[4-(7-chloro-3-methyl-1-benzofuran-2-carbonyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 51185326
(3,7-dimethyl-1-benzofuran-2-yl)-[4-(methylamino)piperidin-1-yl]methanone
CID 119563968

Frequently Asked Questions

What is the IUPAC name of (7-chloro-3-methyl-1-benzofuran-2-yl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride?
The IUPAC name of (7-chloro-3-methyl-1-benzofuran-2-yl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride (CID 119539471) is (7-chloro-3-methyl-1-benzofuran-2-yl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride.
What is the SMILES notation for (7-chloro-3-methyl-1-benzofuran-2-yl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride?
The canonical SMILES for (7-chloro-3-methyl-1-benzofuran-2-yl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride is CNCC1CCN(C(=O)c2oc3c(Cl)cccc3c2C)C1.Cl.
What is the InChIKey of (7-chloro-3-methyl-1-benzofuran-2-yl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride?
The InChIKey is WQTGIUTYFVFDIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O2.ClH/c1-10-12-4-3-5-13(17)15(12)21-14(10)16(20)19-7-6-11(9-19)8-18-2;/h3-5,11,18H,6-9H2,1-2H3;1H.
What are the key properties of (7-chloro-3-methyl-1-benzofuran-2-yl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride?
(7-chloro-3-methyl-1-benzofuran-2-yl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride has a molecular weight of 343.25 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7-chloro-3-methyl-1-benzofuran-2-yl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 119539471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).