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

C14H18Cl2N2O2 — CID 119627028

IUPACN-(2-amino-2-methylpropyl)-7-chloro-3-methyl-1-benzofuran-2-carboxamide;hydrochloride
SMILESCc1c(C(=O)NCC(C)(C)N)oc2c(Cl)cccc12.Cl
InChIInChI=1S/C14H17ClN2O2.ClH/c1-8-9-5-4-6-10(15)12(9)19-11(8)13(18)17-7-14(2,3)16;/h4-6H,7,16H2,1-3H3,(H,17,18);1H
InChIKeyIWLPKCOFJDSOOY-UHFFFAOYSA-N
MW317.22 g/mol
LogP3.28
Rot. Bonds3

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

N-(2-amino-2-methylpropyl)-7-chloro-3-methyl-1-benzofuran-2-carboxamide;hydrochloride (PubChem CID 119627028) has the molecular formula C14H18Cl2N2O2 and a molecular weight of 317.22 g/mol. Its IUPAC name is N-(2-amino-2-methylpropyl)-7-chloro-3-methyl-1-benzofuran-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-methylpropyl)-7-chloro-3-methyl-1-benzofuran-2-carboxamide;hydrochloride
PubChem CID119627028
Molecular FormulaC14H18Cl2N2O2
Molecular Weight317.22 g/mol
Exact Mass316.07
IUPAC NameN-(2-amino-2-methylpropyl)-7-chloro-3-methyl-1-benzofuran-2-carboxamide;hydrochloride
SMILESCc1c(C(=O)NCC(C)(C)N)oc2c(Cl)cccc12.Cl
InChIInChI=1S/C14H17ClN2O2.ClH/c1-8-9-5-4-6-10(15)12(9)19-11(8)13(18)17-7-14(2,3)16;/h4-6H,7,16H2,1-3H3,(H,17,18);1H
InChIKeyIWLPKCOFJDSOOY-UHFFFAOYSA-N
XLogP3.28
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.22
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

7-chloro-N-ethyl-3-methyl-1-benzofuran-2-carboxamide
CID 47100020
N-(3-aminopropyl)-7-chloro-3-methyl-1-benzofuran-2-carboxamide;hydrochloride
CID 119405924
N-[3-(aminomethyl)pentan-3-yl]-7-chloro-3-methyl-1-benzofuran-2-carboxamide;hydrochloride
CID 119569556
7-chloro-3-methyl-N-[(6-methyl-2-pyridinyl)methyl]-1-benzofuran-2-carboxamide
CID 87041238
7-chloro-3-methyl-N-[2-(2,2,2-trifluoroethylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide
CID 46543410
N-[3-(aminomethyl)pentan-3-yl]-7-chloro-3-methyl-1-benzofuran-2-carboxamide
CID 119569557
1-(7-chloro-3-methyl-1-benzofuran-2-yl)propan-1-one
CID 139929639
7-chloro-3-methyl-N-(4-methylphenyl)-1-benzofuran-2-carboxamide
CID 7899827
7-chloro-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-methyl-1-benzofuran-2-carboxamide
CID 8011985
7-chloro-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-methyl-1-benzofuran-2-carboxamide
CID 46593265
7-chloro-3-methyl-N-[(4-thiomorpholin-4-ylphenyl)methyl]-1-benzofuran-2-carboxamide
CID 55853908
N-(2-amino-2-methylpropyl)-2-chlorobenzamide;hydrochloride
CID 119630194

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-methylpropyl)-7-chloro-3-methyl-1-benzofuran-2-carboxamide;hydrochloride?
The IUPAC name of N-(2-amino-2-methylpropyl)-7-chloro-3-methyl-1-benzofuran-2-carboxamide;hydrochloride (CID 119627028) is N-(2-amino-2-methylpropyl)-7-chloro-3-methyl-1-benzofuran-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-amino-2-methylpropyl)-7-chloro-3-methyl-1-benzofuran-2-carboxamide;hydrochloride?
The canonical SMILES for N-(2-amino-2-methylpropyl)-7-chloro-3-methyl-1-benzofuran-2-carboxamide;hydrochloride is Cc1c(C(=O)NCC(C)(C)N)oc2c(Cl)cccc12.Cl.
What is the InChIKey of N-(2-amino-2-methylpropyl)-7-chloro-3-methyl-1-benzofuran-2-carboxamide;hydrochloride?
The InChIKey is IWLPKCOFJDSOOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O2.ClH/c1-8-9-5-4-6-10(15)12(9)19-11(8)13(18)17-7-14(2,3)16;/h4-6H,7,16H2,1-3H3,(H,17,18);1H.
What are the key properties of N-(2-amino-2-methylpropyl)-7-chloro-3-methyl-1-benzofuran-2-carboxamide;hydrochloride?
N-(2-amino-2-methylpropyl)-7-chloro-3-methyl-1-benzofuran-2-carboxamide;hydrochloride has a molecular weight of 317.22 g/mol, XLogP of 3.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-methylpropyl)-7-chloro-3-methyl-1-benzofuran-2-carboxamide;hydrochloride is sourced from PubChem (CID 119627028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).