N-[(2R)-1-hydroxypropan-2-yl]-1-benzofuran-3-carboxamide

C12H13NO3 — CID 79031060

IUPACN-[(2R)-1-hydroxypropan-2-yl]-1-benzofuran-3-carboxamide
SMILESC[C@H](CO)NC(=O)c1coc2ccccc12
InChIInChI=1S/C12H13NO3/c1-8(6-14)13-12(15)10-7-16-11-5-3-2-4-9(10)11/h2-5,7-8,14H,6H2,1H3,(H,13,15)/t8-/m1/s1
InChIKeyQYHNBBNNEZVOPS-MRVPVSSYSA-N
MW219.24 g/mol
LogP1.54
Rot. Bonds3

About N-[(2R)-1-hydroxypropan-2-yl]-1-benzofuran-3-carboxamide

N-[(2R)-1-hydroxypropan-2-yl]-1-benzofuran-3-carboxamide (PubChem CID 79031060) has the molecular formula C12H13NO3 and a molecular weight of 219.24 g/mol. Its IUPAC name is N-[(2R)-1-hydroxypropan-2-yl]-1-benzofuran-3-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-hydroxypropan-2-yl]-1-benzofuran-3-carboxamide
PubChem CID79031060
Molecular FormulaC12H13NO3
Molecular Weight219.24 g/mol
Exact Mass219.09
IUPAC NameN-[(2R)-1-hydroxypropan-2-yl]-1-benzofuran-3-carboxamide
SMILESC[C@H](CO)NC(=O)c1coc2ccccc12
InChIInChI=1S/C12H13NO3/c1-8(6-14)13-12(15)10-7-16-11-5-3-2-4-9(10)11/h2-5,7-8,14H,6H2,1H3,(H,13,15)/t8-/m1/s1
InChIKeyQYHNBBNNEZVOPS-MRVPVSSYSA-N
XLogP1.54
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-1-aminopropan-2-yl]-1-benzofuran-3-carboxamide
CID 104872934
(4R)-4-(1-benzofuran-3-carbonylamino)pentanoic acid
CID 95359138
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-1-benzofuran-3-carboxamide
CID 103801373
N-(4-amino-4-hydroxyiminobutan-2-yl)-1-benzofuran-3-carboxamide
CID 77020851
N-[4-(3,4-difluorophenyl)butan-2-yl]-1-benzofuran-3-carboxamide
CID 86946401
1-N,2-N-bis[(2R)-1-hydroxypropan-2-yl]benzene-1,2-dicarboxamide
CID 786729
1-(1-benzofuran-3-yl)-2-hydroxypropan-1-one
CID 83697645
N-(1-aminopentan-2-yl)-1-benzofuran-3-carboxamide
CID 65191381
N-(3-hydroxy-2-methylbutan-2-yl)-1-benzofuran-3-carboxamide
CID 115884333
N-[(2S)-2-methyl-3-(methylamino)propyl]-1-benzofuran-3-carboxamide
CID 99646947
N-(1-amino-4,4-dimethylpentan-3-yl)-1-benzofuran-3-carboxamide
CID 106357075
4-(1-benzofuran-3-carbonylamino)-2-methylbutanoic acid
CID 80538669

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-hydroxypropan-2-yl]-1-benzofuran-3-carboxamide?
The IUPAC name of N-[(2R)-1-hydroxypropan-2-yl]-1-benzofuran-3-carboxamide (CID 79031060) is N-[(2R)-1-hydroxypropan-2-yl]-1-benzofuran-3-carboxamide.
What is the SMILES notation for N-[(2R)-1-hydroxypropan-2-yl]-1-benzofuran-3-carboxamide?
The canonical SMILES for N-[(2R)-1-hydroxypropan-2-yl]-1-benzofuran-3-carboxamide is C[C@H](CO)NC(=O)c1coc2ccccc12.
What is the InChIKey of N-[(2R)-1-hydroxypropan-2-yl]-1-benzofuran-3-carboxamide?
The InChIKey is QYHNBBNNEZVOPS-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H13NO3/c1-8(6-14)13-12(15)10-7-16-11-5-3-2-4-9(10)11/h2-5,7-8,14H,6H2,1H3,(H,13,15)/t8-/m1/s1.
What are the key properties of N-[(2R)-1-hydroxypropan-2-yl]-1-benzofuran-3-carboxamide?
N-[(2R)-1-hydroxypropan-2-yl]-1-benzofuran-3-carboxamide has a molecular weight of 219.24 g/mol, XLogP of 1.54, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-hydroxypropan-2-yl]-1-benzofuran-3-carboxamide is sourced from PubChem (CID 79031060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).