5-chloro-N-[2-(methylamino)propyl]-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride

C13H18Cl2N2O2 — CID 120831314

IUPAC5-chloro-N-[2-(methylamino)propyl]-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride
SMILESCNC(C)CNC(=O)C1Cc2cc(Cl)ccc2O1.Cl
InChIInChI=1S/C13H17ClN2O2.ClH/c1-8(15-2)7-16-13(17)12-6-9-5-10(14)3-4-11(9)18-12;/h3-5,8,12,15H,6-7H2,1-2H3,(H,16,17);1H
InChIKeyHKRALUOIFYTMBQ-UHFFFAOYSA-N
MW305.21 g/mol
LogP1.79
Rot. Bonds4

About 5-chloro-N-[2-(methylamino)propyl]-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride

5-chloro-N-[2-(methylamino)propyl]-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride (PubChem CID 120831314) has the molecular formula C13H18Cl2N2O2 and a molecular weight of 305.21 g/mol. Its IUPAC name is 5-chloro-N-[2-(methylamino)propyl]-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name5-chloro-N-[2-(methylamino)propyl]-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride
PubChem CID120831314
Molecular FormulaC13H18Cl2N2O2
Molecular Weight305.21 g/mol
Exact Mass304.07
IUPAC Name5-chloro-N-[2-(methylamino)propyl]-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride
SMILESCNC(C)CNC(=O)C1Cc2cc(Cl)ccc2O1.Cl
InChIInChI=1S/C13H17ClN2O2.ClH/c1-8(15-2)7-16-13(17)12-6-9-5-10(14)3-4-11(9)18-12;/h3-5,8,12,15H,6-7H2,1-2H3,(H,16,17);1H
InChIKeyHKRALUOIFYTMBQ-UHFFFAOYSA-N
XLogP1.79
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.21
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(methylamino)propyl]-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride?
The IUPAC name of 5-chloro-N-[2-(methylamino)propyl]-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride (CID 120831314) is 5-chloro-N-[2-(methylamino)propyl]-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride.
What is the SMILES notation for 5-chloro-N-[2-(methylamino)propyl]-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride?
The canonical SMILES for 5-chloro-N-[2-(methylamino)propyl]-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride is CNC(C)CNC(=O)C1Cc2cc(Cl)ccc2O1.Cl.
What is the InChIKey of 5-chloro-N-[2-(methylamino)propyl]-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride?
The InChIKey is HKRALUOIFYTMBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O2.ClH/c1-8(15-2)7-16-13(17)12-6-9-5-10(14)3-4-11(9)18-12;/h3-5,8,12,15H,6-7H2,1-2H3,(H,16,17);1H.
What are the key properties of 5-chloro-N-[2-(methylamino)propyl]-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride?
5-chloro-N-[2-(methylamino)propyl]-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride has a molecular weight of 305.21 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(methylamino)propyl]-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride is sourced from PubChem (CID 120831314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).