N-[(3S)-2,3-dihydro-1-benzofuran-3-yl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide

C19H16N2O3 — CID 97015881

IUPACN-[(3S)-2,3-dihydro-1-benzofuran-3-yl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide
SMILESC=C1c2ccccc2C(=O)N1CC(=O)N[C@@H]1COc2ccccc21
InChIInChI=1S/C19H16N2O3/c1-12-13-6-2-3-7-14(13)19(23)21(12)10-18(22)20-16-11-24-17-9-5-4-8-15(16)17/h2-9,16H,1,10-11H2,(H,20,22)/t16-/m1/s1
InChIKeyNXJDJPABBXBCFJ-MRXNPFEDSA-N
MW320.35 g/mol
LogP2.36
Rot. Bonds3

About N-[(3S)-2,3-dihydro-1-benzofuran-3-yl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide

N-[(3S)-2,3-dihydro-1-benzofuran-3-yl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide (PubChem CID 97015881) has the molecular formula C19H16N2O3 and a molecular weight of 320.35 g/mol. Its IUPAC name is N-[(3S)-2,3-dihydro-1-benzofuran-3-yl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide.

Molecular Properties

Compound NameN-[(3S)-2,3-dihydro-1-benzofuran-3-yl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide
PubChem CID97015881
Molecular FormulaC19H16N2O3
Molecular Weight320.35 g/mol
Exact Mass320.12
IUPAC NameN-[(3S)-2,3-dihydro-1-benzofuran-3-yl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide
SMILESC=C1c2ccccc2C(=O)N1CC(=O)N[C@@H]1COc2ccccc21
InChIInChI=1S/C19H16N2O3/c1-12-13-6-2-3-7-14(13)19(23)21(12)10-18(22)20-16-11-24-17-9-5-4-8-15(16)17/h2-9,16H,1,10-11H2,(H,20,22)/t16-/m1/s1
InChIKeyNXJDJPABBXBCFJ-MRXNPFEDSA-N
XLogP2.36
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-aminopiperidin-1-yl)-N-(2,3-dihydro-1-benzofuran-3-yl)acetamide
CID 79328345
N-(2,3-dihydro-1H-inden-1-yl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 51273562
2-(1,3-dioxoisoindol-2-yl)-N-[(5R)-7-fluoro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]acetamide
CID 94486393
2-(4-chlorophenyl)-N-(2,3-dihydro-1-benzofuran-3-yl)acetamide
CID 110751602
(3S)-N'-[2-(1,3-dioxoisoindol-2-yl)acetyl]-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide
CID 26799774
3-methylidene-2-(2-oxo-2-pyrrolidin-1-ylethyl)isoindol-1-one
CID 47132389
2,3-dihydro-1-benzofuran-3-ylurea
CID 62065035
2-(1-methylidene-3-oxoisoindol-2-yl)-N-(4-phenylphenyl)acetamide
CID 17419674
4-(2,3-dihydro-1-benzofuran-3-ylamino)-2,2-diethyl-4-oxobutanoic acid
CID 62065032
N-(2,3-dihydro-1-benzofuran-3-yl)-3-piperidin-1-ylpropanamide
CID 91785327
4-(azepan-1-yl)-N-(2,3-dihydro-1-benzofuran-3-yl)-4-oxobutanamide
CID 135110920
2-(5-amino-3-methylpyrazol-1-yl)-N-(2,3-dihydro-1-benzofuran-3-yl)acetamide
CID 91780001

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-2,3-dihydro-1-benzofuran-3-yl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide?
The IUPAC name of N-[(3S)-2,3-dihydro-1-benzofuran-3-yl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide (CID 97015881) is N-[(3S)-2,3-dihydro-1-benzofuran-3-yl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide.
What is the SMILES notation for N-[(3S)-2,3-dihydro-1-benzofuran-3-yl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide?
The canonical SMILES for N-[(3S)-2,3-dihydro-1-benzofuran-3-yl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide is C=C1c2ccccc2C(=O)N1CC(=O)N[C@@H]1COc2ccccc21.
What is the InChIKey of N-[(3S)-2,3-dihydro-1-benzofuran-3-yl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide?
The InChIKey is NXJDJPABBXBCFJ-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H16N2O3/c1-12-13-6-2-3-7-14(13)19(23)21(12)10-18(22)20-16-11-24-17-9-5-4-8-15(16)17/h2-9,16H,1,10-11H2,(H,20,22)/t16-/m1/s1.
What are the key properties of N-[(3S)-2,3-dihydro-1-benzofuran-3-yl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide?
N-[(3S)-2,3-dihydro-1-benzofuran-3-yl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide has a molecular weight of 320.35 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-2,3-dihydro-1-benzofuran-3-yl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide is sourced from PubChem (CID 97015881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).