5-chloro-3-methyl-N-(2-pyrrolidin-3-ylethyl)-1-benzofuran-2-carboxamide;hydrochloride

C16H20Cl2N2O2 — CID 119535509

IUPAC5-chloro-3-methyl-N-(2-pyrrolidin-3-ylethyl)-1-benzofuran-2-carboxamide;hydrochloride
SMILESCc1c(C(=O)NCCC2CCNC2)oc2ccc(Cl)cc12.Cl
InChIInChI=1S/C16H19ClN2O2.ClH/c1-10-13-8-12(17)2-3-14(13)21-15(10)16(20)19-7-5-11-4-6-18-9-11;/h2-3,8,11,18H,4-7,9H2,1H3,(H,19,20);1H
InChIKeyFWSDPSPDYGSHDK-UHFFFAOYSA-N
MW343.25 g/mol
LogP3.55
Rot. Bonds4

About 5-chloro-3-methyl-N-(2-pyrrolidin-3-ylethyl)-1-benzofuran-2-carboxamide;hydrochloride

5-chloro-3-methyl-N-(2-pyrrolidin-3-ylethyl)-1-benzofuran-2-carboxamide;hydrochloride (PubChem CID 119535509) has the molecular formula C16H20Cl2N2O2 and a molecular weight of 343.25 g/mol. Its IUPAC name is 5-chloro-3-methyl-N-(2-pyrrolidin-3-ylethyl)-1-benzofuran-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name5-chloro-3-methyl-N-(2-pyrrolidin-3-ylethyl)-1-benzofuran-2-carboxamide;hydrochloride
PubChem CID119535509
Molecular FormulaC16H20Cl2N2O2
Molecular Weight343.25 g/mol
Exact Mass342.09
IUPAC Name5-chloro-3-methyl-N-(2-pyrrolidin-3-ylethyl)-1-benzofuran-2-carboxamide;hydrochloride
SMILESCc1c(C(=O)NCCC2CCNC2)oc2ccc(Cl)cc12.Cl
InChIInChI=1S/C16H19ClN2O2.ClH/c1-10-13-8-12(17)2-3-14(13)21-15(10)16(20)19-7-5-11-4-6-18-9-11;/h2-3,8,11,18H,4-7,9H2,1H3,(H,19,20);1H
InChIKeyFWSDPSPDYGSHDK-UHFFFAOYSA-N
XLogP3.55
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.25
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-3-methyl-N-(piperidin-3-ylmethyl)-1-benzofuran-2-carboxamide;hydrochloride
CID 119461945
3,7-dimethyl-N-(2-pyrrolidin-3-ylethyl)-1-benzofuran-2-carboxamide;hydrochloride
CID 119538086
3,4,7-trimethyl-N-(2-pyrrolidin-3-ylethyl)-1-benzofuran-2-carboxamide
CID 119538081
7-chloro-3-methyl-N-(2-piperidin-3-ylethyl)-1-benzofuran-2-carboxamide;hydrochloride
CID 119556193
4-chloro-2-methoxy-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 63630238
N-(4-amino-4-oxobutyl)-5-chloro-3-methyl-1-benzofuran-2-carboxamide
CID 47189063
N-(4-aminocyclohexyl)-5-chloro-3-methyl-1-benzofuran-2-carboxamide
CID 119476472
2-[2-[(5-chloro-3-methyl-1-benzofuran-2-carbonyl)amino]ethylsulfanyl]acetic acid
CID 119241919
3,4-dimethyl-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119537772
2-(5-chloro-2-methoxyphenyl)-N-(2-pyrrolidin-3-ylethyl)acetamide;hydrochloride
CID 119533390
3,6-dichloro-N-(2-pyrrolidin-3-ylethyl)-1-benzothiophene-2-carboxamide
CID 119537076
3-chloro-2-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 107098145

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-methyl-N-(2-pyrrolidin-3-ylethyl)-1-benzofuran-2-carboxamide;hydrochloride?
The IUPAC name of 5-chloro-3-methyl-N-(2-pyrrolidin-3-ylethyl)-1-benzofuran-2-carboxamide;hydrochloride (CID 119535509) is 5-chloro-3-methyl-N-(2-pyrrolidin-3-ylethyl)-1-benzofuran-2-carboxamide;hydrochloride.
What is the SMILES notation for 5-chloro-3-methyl-N-(2-pyrrolidin-3-ylethyl)-1-benzofuran-2-carboxamide;hydrochloride?
The canonical SMILES for 5-chloro-3-methyl-N-(2-pyrrolidin-3-ylethyl)-1-benzofuran-2-carboxamide;hydrochloride is Cc1c(C(=O)NCCC2CCNC2)oc2ccc(Cl)cc12.Cl.
What is the InChIKey of 5-chloro-3-methyl-N-(2-pyrrolidin-3-ylethyl)-1-benzofuran-2-carboxamide;hydrochloride?
The InChIKey is FWSDPSPDYGSHDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O2.ClH/c1-10-13-8-12(17)2-3-14(13)21-15(10)16(20)19-7-5-11-4-6-18-9-11;/h2-3,8,11,18H,4-7,9H2,1H3,(H,19,20);1H.
What are the key properties of 5-chloro-3-methyl-N-(2-pyrrolidin-3-ylethyl)-1-benzofuran-2-carboxamide;hydrochloride?
5-chloro-3-methyl-N-(2-pyrrolidin-3-ylethyl)-1-benzofuran-2-carboxamide;hydrochloride has a molecular weight of 343.25 g/mol, XLogP of 3.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-methyl-N-(2-pyrrolidin-3-ylethyl)-1-benzofuran-2-carboxamide;hydrochloride is sourced from PubChem (CID 119535509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).