N-(3-aminopropyl)-7-chloro-3-methyl-1-benzofuran-2-carboxamide;hydrochloride

C13H16Cl2N2O2 — CID 119405924

IUPACN-(3-aminopropyl)-7-chloro-3-methyl-1-benzofuran-2-carboxamide;hydrochloride
SMILESCc1c(C(=O)NCCCN)oc2c(Cl)cccc12.Cl
InChIInChI=1S/C13H15ClN2O2.ClH/c1-8-9-4-2-5-10(14)12(9)18-11(8)13(17)16-7-3-6-15;/h2,4-5H,3,6-7,15H2,1H3,(H,16,17);1H
InChIKeyJMOWBDOOJDZFKH-UHFFFAOYSA-N
MW303.19 g/mol
LogP2.90
Rot. Bonds4

About N-(3-aminopropyl)-7-chloro-3-methyl-1-benzofuran-2-carboxamide;hydrochloride

N-(3-aminopropyl)-7-chloro-3-methyl-1-benzofuran-2-carboxamide;hydrochloride (PubChem CID 119405924) has the molecular formula C13H16Cl2N2O2 and a molecular weight of 303.19 g/mol. Its IUPAC name is N-(3-aminopropyl)-7-chloro-3-methyl-1-benzofuran-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3-aminopropyl)-7-chloro-3-methyl-1-benzofuran-2-carboxamide;hydrochloride
PubChem CID119405924
Molecular FormulaC13H16Cl2N2O2
Molecular Weight303.19 g/mol
Exact Mass302.06
IUPAC NameN-(3-aminopropyl)-7-chloro-3-methyl-1-benzofuran-2-carboxamide;hydrochloride
SMILESCc1c(C(=O)NCCCN)oc2c(Cl)cccc12.Cl
InChIInChI=1S/C13H15ClN2O2.ClH/c1-8-9-4-2-5-10(14)12(9)18-11(8)13(17)16-7-3-6-15;/h2,4-5H,3,6-7,15H2,1H3,(H,16,17);1H
InChIKeyJMOWBDOOJDZFKH-UHFFFAOYSA-N
XLogP2.90
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.19
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

7-chloro-N-ethyl-3-methyl-1-benzofuran-2-carboxamide
CID 47100020
N-(2-amino-2-methylpropyl)-7-chloro-3-methyl-1-benzofuran-2-carboxamide;hydrochloride
CID 119627028
N-[3-(aminomethyl)pentan-3-yl]-7-chloro-3-methyl-1-benzofuran-2-carboxamide;hydrochloride
CID 119569556
N-[3-(aminomethyl)pentan-3-yl]-7-chloro-3-methyl-1-benzofuran-2-carboxamide
CID 119569557
7-chloro-3-methyl-N-[(6-methyl-2-pyridinyl)methyl]-1-benzofuran-2-carboxamide
CID 87041238
7-chloro-3-methyl-N-(2-piperidin-3-ylethyl)-1-benzofuran-2-carboxamide;hydrochloride
CID 119556193
1-(7-chloro-3-methyl-1-benzofuran-2-yl)propan-1-one
CID 139929639
7-chloro-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-3-methyl-1-benzofuran-2-carboxamide
CID 49067816
7-chloro-3-methyl-N-pentan-2-yl-1-benzofuran-2-carboxamide
CID 16546211
7-chloro-3-methyl-N-(4-methylphenyl)-1-benzofuran-2-carboxamide
CID 7899827
7-chloro-3-methyl-N-[3-[4-(2-methylpropyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]propyl]-1-benzofuran-2-carboxamide
CID 134013580
7-chloro-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-methyl-1-benzofuran-2-carboxamide
CID 8011985

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-7-chloro-3-methyl-1-benzofuran-2-carboxamide;hydrochloride?
The IUPAC name of N-(3-aminopropyl)-7-chloro-3-methyl-1-benzofuran-2-carboxamide;hydrochloride (CID 119405924) is N-(3-aminopropyl)-7-chloro-3-methyl-1-benzofuran-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(3-aminopropyl)-7-chloro-3-methyl-1-benzofuran-2-carboxamide;hydrochloride?
The canonical SMILES for N-(3-aminopropyl)-7-chloro-3-methyl-1-benzofuran-2-carboxamide;hydrochloride is Cc1c(C(=O)NCCCN)oc2c(Cl)cccc12.Cl.
What is the InChIKey of N-(3-aminopropyl)-7-chloro-3-methyl-1-benzofuran-2-carboxamide;hydrochloride?
The InChIKey is JMOWBDOOJDZFKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O2.ClH/c1-8-9-4-2-5-10(14)12(9)18-11(8)13(17)16-7-3-6-15;/h2,4-5H,3,6-7,15H2,1H3,(H,16,17);1H.
What are the key properties of N-(3-aminopropyl)-7-chloro-3-methyl-1-benzofuran-2-carboxamide;hydrochloride?
N-(3-aminopropyl)-7-chloro-3-methyl-1-benzofuran-2-carboxamide;hydrochloride has a molecular weight of 303.19 g/mol, XLogP of 2.90, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-7-chloro-3-methyl-1-benzofuran-2-carboxamide;hydrochloride is sourced from PubChem (CID 119405924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).