N-[(2R)-2-(ethylamino)propyl]-1-benzofuran-2-carboxamide;hydrochloride

C14H19ClN2O2 — CID 120654614

IUPACN-[(2R)-2-(ethylamino)propyl]-1-benzofuran-2-carboxamide;hydrochloride
SMILESCCN[C@H](C)CNC(=O)c1cc2ccccc2o1.Cl
InChIInChI=1S/C14H18N2O2.ClH/c1-3-15-10(2)9-16-14(17)13-8-11-6-4-5-7-12(11)18-13;/h4-8,10,15H,3,9H2,1-2H3,(H,16,17);1H/t10-;/m1./s1
InChIKeySHVZGISBWLTXBU-HNCPQSOCSA-N
MW282.77 g/mol
LogP2.58
Rot. Bonds5

About N-[(2R)-2-(ethylamino)propyl]-1-benzofuran-2-carboxamide;hydrochloride

N-[(2R)-2-(ethylamino)propyl]-1-benzofuran-2-carboxamide;hydrochloride (PubChem CID 120654614) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is N-[(2R)-2-(ethylamino)propyl]-1-benzofuran-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[(2R)-2-(ethylamino)propyl]-1-benzofuran-2-carboxamide;hydrochloride
PubChem CID120654614
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC NameN-[(2R)-2-(ethylamino)propyl]-1-benzofuran-2-carboxamide;hydrochloride
SMILESCCN[C@H](C)CNC(=O)c1cc2ccccc2o1.Cl
InChIInChI=1S/C14H18N2O2.ClH/c1-3-15-10(2)9-16-14(17)13-8-11-6-4-5-7-12(11)18-13;/h4-8,10,15H,3,9H2,1-2H3,(H,16,17);1H/t10-;/m1./s1
InChIKeySHVZGISBWLTXBU-HNCPQSOCSA-N
XLogP2.58
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminopropyl)-1-benzofuran-2-carboxamide;hydrochloride
CID 69484360
N-(2-chloropropyl)-1-benzofuran-2-carboxamide
CID 114296217
N-[(2R)-2-amino-3-methylbutyl]-1-benzofuran-2-carboxamide;hydrochloride
CID 69484472
N-[(2R)-2-phenylpropyl]-1-benzofuran-2-carboxamide
CID 9302248
N-[2-(propan-2-ylamino)ethyl]-1-benzofuran-2-carboxamide
CID 62659751
(2S)-1-(1-benzofuran-2-yl)-2-(ethylamino)propan-1-one
CID 171632707
N-(4-amino-2-methylbutyl)-1-benzofuran-2-carboxamide
CID 66089049
N-(4-bromo-2-methylbutyl)-1-benzofuran-2-carboxamide
CID 113276116
N-[2-(2-hydroxyethyl)-4-methylpentyl]-1-benzofuran-2-carboxamide
CID 111662507
N-[(2S)-2-amino-2-phenylethyl]-1-benzofuran-2-carboxamide
CID 150997977
N-(2-chloro-3-methoxypropyl)-1-benzofuran-2-carboxamide
CID 113271992
N-[(2S)-2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-1-benzofuran-2-carboxamide
CID 95982464

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(ethylamino)propyl]-1-benzofuran-2-carboxamide;hydrochloride?
The IUPAC name of N-[(2R)-2-(ethylamino)propyl]-1-benzofuran-2-carboxamide;hydrochloride (CID 120654614) is N-[(2R)-2-(ethylamino)propyl]-1-benzofuran-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[(2R)-2-(ethylamino)propyl]-1-benzofuran-2-carboxamide;hydrochloride?
The canonical SMILES for N-[(2R)-2-(ethylamino)propyl]-1-benzofuran-2-carboxamide;hydrochloride is CCN[C@H](C)CNC(=O)c1cc2ccccc2o1.Cl.
What is the InChIKey of N-[(2R)-2-(ethylamino)propyl]-1-benzofuran-2-carboxamide;hydrochloride?
The InChIKey is SHVZGISBWLTXBU-HNCPQSOCSA-N. The full InChI is InChI=1S/C14H18N2O2.ClH/c1-3-15-10(2)9-16-14(17)13-8-11-6-4-5-7-12(11)18-13;/h4-8,10,15H,3,9H2,1-2H3,(H,16,17);1H/t10-;/m1./s1.
What are the key properties of N-[(2R)-2-(ethylamino)propyl]-1-benzofuran-2-carboxamide;hydrochloride?
N-[(2R)-2-(ethylamino)propyl]-1-benzofuran-2-carboxamide;hydrochloride has a molecular weight of 282.77 g/mol, XLogP of 2.58, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(ethylamino)propyl]-1-benzofuran-2-carboxamide;hydrochloride is sourced from PubChem (CID 120654614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).