N-cyclopropyl-2-[(1R)-3-oxo-1H-2-benzofuran-1-yl]acetamide

C13H13NO3 — CID 7986718

IUPACN-cyclopropyl-2-[(1R)-3-oxo-1H-2-benzofuran-1-yl]acetamide
SMILESO=C(C[C@H]1OC(=O)c2ccccc21)NC1CC1
InChIInChI=1S/C13H13NO3/c15-12(14-8-5-6-8)7-11-9-3-1-2-4-10(9)13(16)17-11/h1-4,8,11H,5-7H2,(H,14,15)/t11-/m1/s1
InChIKeyDGIQDJDOCBXCDZ-LLVKDONJSA-N
MW231.25 g/mol
LogP1.57
Rot. Bonds3

About N-cyclopropyl-2-[(1R)-3-oxo-1H-2-benzofuran-1-yl]acetamide

N-cyclopropyl-2-[(1R)-3-oxo-1H-2-benzofuran-1-yl]acetamide (PubChem CID 7986718) has the molecular formula C13H13NO3 and a molecular weight of 231.25 g/mol. Its IUPAC name is N-cyclopropyl-2-[(1R)-3-oxo-1H-2-benzofuran-1-yl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[(1R)-3-oxo-1H-2-benzofuran-1-yl]acetamide
PubChem CID7986718
Molecular FormulaC13H13NO3
Molecular Weight231.25 g/mol
Exact Mass231.09
IUPAC NameN-cyclopropyl-2-[(1R)-3-oxo-1H-2-benzofuran-1-yl]acetamide
SMILESO=C(C[C@H]1OC(=O)c2ccccc21)NC1CC1
InChIInChI=1S/C13H13NO3/c15-12(14-8-5-6-8)7-11-9-3-1-2-4-10(9)13(16)17-11/h1-4,8,11H,5-7H2,(H,14,15)/t11-/m1/s1
InChIKeyDGIQDJDOCBXCDZ-LLVKDONJSA-N
XLogP1.57
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-2-(3-oxo-1H-2-benzofuran-1-yl)acetamide
CID 4791695
N-cycloheptyl-2-(3-oxo-1H-2-benzofuran-1-yl)acetamide
CID 42910502
1-[[[2-(3-oxo-1H-2-benzofuran-1-yl)acetyl]amino]methyl]cyclobutane-1-carboxylic acid
CID 166225036
N-[(2R)-1-methoxypropan-2-yl]-2-[(1R)-3-oxo-1H-2-benzofuran-1-yl]acetamide
CID 94796777
N,N-dimethyl-2-(3-oxo-1H-2-benzofuran-1-yl)acetamide
CID 16741594
(2S)-2-[[2-[(1R)-3-oxo-1H-2-benzofuran-1-yl]acetyl]amino]-3-phenylpropanoic acid
CID 97081857
N-[4-(2-hydroxyethyl)phenyl]-2-[(1R)-3-oxo-1H-2-benzofuran-1-yl]acetamide
CID 52868718
2-(3-oxo-1H-2-benzofuran-1-yl)-N-(4-piperidin-1-ylphenyl)acetamide
CID 42891278
N-(2-morpholin-4-ylphenyl)-2-(3-oxo-1H-2-benzofuran-1-yl)acetamide
CID 2999418
(3R)-3-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-3H-2-benzofuran-1-one
CID 2477905
N-(3-chloro-4-methoxyphenyl)-2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]acetamide
CID 26735813
N-[(1S)-1-(4-tert-butylphenyl)ethyl]-2-[(1R)-3-oxo-1H-2-benzofuran-1-yl]acetamide
CID 94050091

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[(1R)-3-oxo-1H-2-benzofuran-1-yl]acetamide?
The IUPAC name of N-cyclopropyl-2-[(1R)-3-oxo-1H-2-benzofuran-1-yl]acetamide (CID 7986718) is N-cyclopropyl-2-[(1R)-3-oxo-1H-2-benzofuran-1-yl]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[(1R)-3-oxo-1H-2-benzofuran-1-yl]acetamide?
The canonical SMILES for N-cyclopropyl-2-[(1R)-3-oxo-1H-2-benzofuran-1-yl]acetamide is O=C(C[C@H]1OC(=O)c2ccccc21)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-[(1R)-3-oxo-1H-2-benzofuran-1-yl]acetamide?
The InChIKey is DGIQDJDOCBXCDZ-LLVKDONJSA-N. The full InChI is InChI=1S/C13H13NO3/c15-12(14-8-5-6-8)7-11-9-3-1-2-4-10(9)13(16)17-11/h1-4,8,11H,5-7H2,(H,14,15)/t11-/m1/s1.
What are the key properties of N-cyclopropyl-2-[(1R)-3-oxo-1H-2-benzofuran-1-yl]acetamide?
N-cyclopropyl-2-[(1R)-3-oxo-1H-2-benzofuran-1-yl]acetamide has a molecular weight of 231.25 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[(1R)-3-oxo-1H-2-benzofuran-1-yl]acetamide is sourced from PubChem (CID 7986718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).