N-[(2R)-2-amino-3-methylbutyl]-1-benzofuran-2-carboxamide;hydrochloride

C14H19ClN2O2 — CID 69484472

IUPACN-[(2R)-2-amino-3-methylbutyl]-1-benzofuran-2-carboxamide;hydrochloride
SMILESCC(C)[C@@H](N)CNC(=O)c1cc2ccccc2o1.Cl
InChIInChI=1S/C14H18N2O2.ClH/c1-9(2)11(15)8-16-14(17)13-7-10-5-3-4-6-12(10)18-13;/h3-7,9,11H,8,15H2,1-2H3,(H,16,17);1H/t11-;/m0./s1
InChIKeyCRPCFRRVABQOQO-MERQFXBCSA-N
MW282.77 g/mol
LogP2.57
Rot. Bonds4

About N-[(2R)-2-amino-3-methylbutyl]-1-benzofuran-2-carboxamide;hydrochloride

N-[(2R)-2-amino-3-methylbutyl]-1-benzofuran-2-carboxamide;hydrochloride (PubChem CID 69484472) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is N-[(2R)-2-amino-3-methylbutyl]-1-benzofuran-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[(2R)-2-amino-3-methylbutyl]-1-benzofuran-2-carboxamide;hydrochloride
PubChem CID69484472
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC NameN-[(2R)-2-amino-3-methylbutyl]-1-benzofuran-2-carboxamide;hydrochloride
SMILESCC(C)[C@@H](N)CNC(=O)c1cc2ccccc2o1.Cl
InChIInChI=1S/C14H18N2O2.ClH/c1-9(2)11(15)8-16-14(17)13-7-10-5-3-4-6-12(10)18-13;/h3-7,9,11H,8,15H2,1-2H3,(H,16,17);1H/t11-;/m0./s1
InChIKeyCRPCFRRVABQOQO-MERQFXBCSA-N
XLogP2.57
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(2R)-2-amino-3-methylbutyl]-1-benzofuran-2-carboxamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-aminopropyl)-1-benzofuran-2-carboxamide;hydrochloride
CID 69484360
N-(2-chloropropyl)-1-benzofuran-2-carboxamide
CID 114296217
N-[(2R)-2-(ethylamino)propyl]-1-benzofuran-2-carboxamide;hydrochloride
CID 120654614
N-[(2R)-2-phenylpropyl]-1-benzofuran-2-carboxamide
CID 9302248
N-(4-amino-2-methylbutyl)-1-benzofuran-2-carboxamide
CID 66089049
N-[(2S)-2-amino-2-phenylethyl]-1-benzofuran-2-carboxamide
CID 150997977
N-(4-bromo-2-methylbutyl)-1-benzofuran-2-carboxamide
CID 113276116
N-[2-(2-hydroxyethyl)-4-methylpentyl]-1-benzofuran-2-carboxamide
CID 111662507
N-[2-(propan-2-ylamino)ethyl]-1-benzofuran-2-carboxamide
CID 62659751
N-(2-chloro-3-methoxypropyl)-1-benzofuran-2-carboxamide
CID 113271992
N-[(2S)-1-[(2-amino-3-methylbutanoyl)amino]-3-methylbutan-2-yl]-1-benzofuran-2-carboxamide
CID 69482973
N-prop-2-ynyl-1-benzofuran-2-carboxamide
CID 60646228

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-amino-3-methylbutyl]-1-benzofuran-2-carboxamide;hydrochloride?
The IUPAC name of N-[(2R)-2-amino-3-methylbutyl]-1-benzofuran-2-carboxamide;hydrochloride (CID 69484472) is N-[(2R)-2-amino-3-methylbutyl]-1-benzofuran-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[(2R)-2-amino-3-methylbutyl]-1-benzofuran-2-carboxamide;hydrochloride?
The canonical SMILES for N-[(2R)-2-amino-3-methylbutyl]-1-benzofuran-2-carboxamide;hydrochloride is CC(C)[C@@H](N)CNC(=O)c1cc2ccccc2o1.Cl.
What is the InChIKey of N-[(2R)-2-amino-3-methylbutyl]-1-benzofuran-2-carboxamide;hydrochloride?
The InChIKey is CRPCFRRVABQOQO-MERQFXBCSA-N. The full InChI is InChI=1S/C14H18N2O2.ClH/c1-9(2)11(15)8-16-14(17)13-7-10-5-3-4-6-12(10)18-13;/h3-7,9,11H,8,15H2,1-2H3,(H,16,17);1H/t11-;/m0./s1.
What are the key properties of N-[(2R)-2-amino-3-methylbutyl]-1-benzofuran-2-carboxamide;hydrochloride?
N-[(2R)-2-amino-3-methylbutyl]-1-benzofuran-2-carboxamide;hydrochloride has a molecular weight of 282.77 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-amino-3-methylbutyl]-1-benzofuran-2-carboxamide;hydrochloride is sourced from PubChem (CID 69484472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).