N-[(5-chlorofuran-2-yl)methyl]-3-(1,3-dioxoisoindol-2-yl)propanamide

C16H13ClN2O4 — CID 110731979

IUPACN-[(5-chlorofuran-2-yl)methyl]-3-(1,3-dioxoisoindol-2-yl)propanamide
SMILESO=C(CCN1C(=O)c2ccccc2C1=O)NCc1ccc(Cl)o1
InChIInChI=1S/C16H13ClN2O4/c17-13-6-5-10(23-13)9-18-14(20)7-8-19-15(21)11-3-1-2-4-12(11)16(19)22/h1-6H,7-9H2,(H,18,20)
InChIKeyATEPPRVBMSSUTM-UHFFFAOYSA-N
MW332.74 g/mol
LogP2.24
Rot. Bonds5

About N-[(5-chlorofuran-2-yl)methyl]-3-(1,3-dioxoisoindol-2-yl)propanamide

N-[(5-chlorofuran-2-yl)methyl]-3-(1,3-dioxoisoindol-2-yl)propanamide (PubChem CID 110731979) has the molecular formula C16H13ClN2O4 and a molecular weight of 332.74 g/mol. Its IUPAC name is N-[(5-chlorofuran-2-yl)methyl]-3-(1,3-dioxoisoindol-2-yl)propanamide.

Molecular Properties

Compound NameN-[(5-chlorofuran-2-yl)methyl]-3-(1,3-dioxoisoindol-2-yl)propanamide
PubChem CID110731979
Molecular FormulaC16H13ClN2O4
Molecular Weight332.74 g/mol
Exact Mass332.06
IUPAC NameN-[(5-chlorofuran-2-yl)methyl]-3-(1,3-dioxoisoindol-2-yl)propanamide
SMILESO=C(CCN1C(=O)c2ccccc2C1=O)NCc1ccc(Cl)o1
InChIInChI=1S/C16H13ClN2O4/c17-13-6-5-10(23-13)9-18-14(20)7-8-19-15(21)11-3-1-2-4-12(11)16(19)22/h1-6H,7-9H2,(H,18,20)
InChIKeyATEPPRVBMSSUTM-UHFFFAOYSA-N
XLogP2.24
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.74
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3-(1,3-dioxoisoindol-2-yl)-N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]propanamide
CID 24525146
[2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]-2-oxoethyl] 3-(1,3-dioxoisoindol-2-yl)propanoate
CID 55366521
3-(1,3-dioxoisoindol-2-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]propanamide
CID 110660366
11-(1,3-dioxoisoindol-2-yl)-N-(furan-2-ylmethyl)undecanamide
CID 8796994
6-(1,3-dioxoisoindol-2-yl)-N-(furan-2-ylmethyl)hexanamide
CID 647827
3-(1,3-dioxoisoindol-2-yl)-N-[(2-methyl-1,3-oxazol-4-yl)methyl]propanamide
CID 110714611
3-(1,3-dioxoisoindol-2-yl)-N-[2-[2-[3-(1,3-dioxoisoindol-2-yl)propanoylamino]ethyldisulfanyl]ethyl]propanamide
CID 56842591
N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-4-(1,3-dioxoisoindol-2-yl)butanamide
CID 46464153
3-(1,3-dioxoisoindol-2-yl)-N-(1,3-thiazol-4-ylmethyl)propanamide
CID 49346171
3-(1,3-dioxoisoindol-2-yl)-N-[(1-methyl-2-oxo-3-pyridinyl)methyl]propanamide
CID 110730354
N-(2,6-dichlorophenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 7290099
3-[[3-(1,3-dioxoisoindol-2-yl)propanoylamino]methyl]benzoic acid
CID 108767672

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorofuran-2-yl)methyl]-3-(1,3-dioxoisoindol-2-yl)propanamide?
The IUPAC name of N-[(5-chlorofuran-2-yl)methyl]-3-(1,3-dioxoisoindol-2-yl)propanamide (CID 110731979) is N-[(5-chlorofuran-2-yl)methyl]-3-(1,3-dioxoisoindol-2-yl)propanamide.
What is the SMILES notation for N-[(5-chlorofuran-2-yl)methyl]-3-(1,3-dioxoisoindol-2-yl)propanamide?
The canonical SMILES for N-[(5-chlorofuran-2-yl)methyl]-3-(1,3-dioxoisoindol-2-yl)propanamide is O=C(CCN1C(=O)c2ccccc2C1=O)NCc1ccc(Cl)o1.
What is the InChIKey of N-[(5-chlorofuran-2-yl)methyl]-3-(1,3-dioxoisoindol-2-yl)propanamide?
The InChIKey is ATEPPRVBMSSUTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O4/c17-13-6-5-10(23-13)9-18-14(20)7-8-19-15(21)11-3-1-2-4-12(11)16(19)22/h1-6H,7-9H2,(H,18,20).
What are the key properties of N-[(5-chlorofuran-2-yl)methyl]-3-(1,3-dioxoisoindol-2-yl)propanamide?
N-[(5-chlorofuran-2-yl)methyl]-3-(1,3-dioxoisoindol-2-yl)propanamide has a molecular weight of 332.74 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorofuran-2-yl)methyl]-3-(1,3-dioxoisoindol-2-yl)propanamide is sourced from PubChem (CID 110731979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).