N-(2-amino-1-cyclohexylethyl)-5-chloro-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride

C17H24Cl2N2O2 — CID 119591964

IUPACN-(2-amino-1-cyclohexylethyl)-5-chloro-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride
SMILESCl.NCC(NC(=O)C1Cc2cc(Cl)ccc2O1)C1CCCCC1
InChIInChI=1S/C17H23ClN2O2.ClH/c18-13-6-7-15-12(8-13)9-16(22-15)17(21)20-14(10-19)11-4-2-1-3-5-11;/h6-8,11,14,16H,1-5,9-10,19H2,(H,20,21);1H
InChIKeyFWPUZRNCIOERFG-UHFFFAOYSA-N
MW359.30 g/mol
LogP3.09
Rot. Bonds4

About N-(2-amino-1-cyclohexylethyl)-5-chloro-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride

N-(2-amino-1-cyclohexylethyl)-5-chloro-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride (PubChem CID 119591964) has the molecular formula C17H24Cl2N2O2 and a molecular weight of 359.30 g/mol. Its IUPAC name is N-(2-amino-1-cyclohexylethyl)-5-chloro-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-1-cyclohexylethyl)-5-chloro-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride
PubChem CID119591964
Molecular FormulaC17H24Cl2N2O2
Molecular Weight359.30 g/mol
Exact Mass358.12
IUPAC NameN-(2-amino-1-cyclohexylethyl)-5-chloro-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride
SMILESCl.NCC(NC(=O)C1Cc2cc(Cl)ccc2O1)C1CCCCC1
InChIInChI=1S/C17H23ClN2O2.ClH/c18-13-6-7-15-12(8-13)9-16(22-15)17(21)20-14(10-19)11-4-2-1-3-5-11;/h6-8,11,14,16H,1-5,9-10,19H2,(H,20,21);1H
InChIKeyFWPUZRNCIOERFG-UHFFFAOYSA-N
XLogP3.09
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.30
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(2-amino-1-cyclohexylethyl)-5-chloro-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride with MolForge

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Related Compounds

(2R)-5-chloro-N-cycloheptyl-2,3-dihydro-1-benzofuran-2-carboxamide
CID 8006571
5-chloro-N-(cyclohexylmethyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 24679615
N-(1-aminohexan-2-yl)-5-chloro-2,3-dihydro-1-benzofuran-2-carboxamide
CID 119668584
5-chloro-2,3-dihydro-1-benzofuran-2-carboxamide
CID 42920084
5-chloro-N-[2-(methylamino)propyl]-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride
CID 120831314
5-chloro-N-[cyclopropyl-(4-methylphenyl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 24582542
(2S)-2-[[(2R)-5-chloro-2,3-dihydro-1-benzofuran-2-carbonyl]amino]-3-methylbutanoic acid
CID 129365541
5-chloro-N-(1-hydroxy-4-methylpentan-3-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 103782304
N-(3-amino-2-hydroxy-3-oxopropyl)-5-chloro-2,3-dihydro-1-benzofuran-2-carboxamide
CID 106164157
5-chloro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 103801385
N-(2-amino-2-ethylbutyl)-5-chloro-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride
CID 119643716
N-(2-amino-1-cyclopentylethyl)-5-chloro-2-hydroxybenzamide
CID 106737723

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclohexylethyl)-5-chloro-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride?
The IUPAC name of N-(2-amino-1-cyclohexylethyl)-5-chloro-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride (CID 119591964) is N-(2-amino-1-cyclohexylethyl)-5-chloro-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-amino-1-cyclohexylethyl)-5-chloro-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride?
The canonical SMILES for N-(2-amino-1-cyclohexylethyl)-5-chloro-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride is Cl.NCC(NC(=O)C1Cc2cc(Cl)ccc2O1)C1CCCCC1.
What is the InChIKey of N-(2-amino-1-cyclohexylethyl)-5-chloro-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride?
The InChIKey is FWPUZRNCIOERFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2O2.ClH/c18-13-6-7-15-12(8-13)9-16(22-15)17(21)20-14(10-19)11-4-2-1-3-5-11;/h6-8,11,14,16H,1-5,9-10,19H2,(H,20,21);1H.
What are the key properties of N-(2-amino-1-cyclohexylethyl)-5-chloro-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride?
N-(2-amino-1-cyclohexylethyl)-5-chloro-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride has a molecular weight of 359.30 g/mol, XLogP of 3.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclohexylethyl)-5-chloro-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride is sourced from PubChem (CID 119591964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).