N-[3-(2-chlorophenyl)prop-2-ynyl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide

C15H13ClN2O3 — CID 90548784

IUPACN-[3-(2-chlorophenyl)prop-2-ynyl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide
SMILESO=C(CN1C(=O)CCC1=O)NCC#Cc1ccccc1Cl
InChIInChI=1S/C15H13ClN2O3/c16-12-6-2-1-4-11(12)5-3-9-17-13(19)10-18-14(20)7-8-15(18)21/h1-2,4,6H,7-10H2,(H,17,19)
InChIKeyHKZWSMBDCWGCLH-UHFFFAOYSA-N
MW304.73 g/mol
LogP0.96
Rot. Bonds3

About N-[3-(2-chlorophenyl)prop-2-ynyl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide

N-[3-(2-chlorophenyl)prop-2-ynyl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide (PubChem CID 90548784) has the molecular formula C15H13ClN2O3 and a molecular weight of 304.73 g/mol. Its IUPAC name is N-[3-(2-chlorophenyl)prop-2-ynyl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[3-(2-chlorophenyl)prop-2-ynyl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide
PubChem CID90548784
Molecular FormulaC15H13ClN2O3
Molecular Weight304.73 g/mol
Exact Mass304.06
IUPAC NameN-[3-(2-chlorophenyl)prop-2-ynyl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide
SMILESO=C(CN1C(=O)CCC1=O)NCC#Cc1ccccc1Cl
InChIInChI=1S/C15H13ClN2O3/c16-12-6-2-1-4-11(12)5-3-9-17-13(19)10-18-14(20)7-8-15(18)21/h1-2,4,6H,7-10H2,(H,17,19)
InChIKeyHKZWSMBDCWGCLH-UHFFFAOYSA-N
XLogP0.96
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.73
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2,5-dioxopyrrolidin-1-yl)-N-[3-(2-methoxyphenyl)prop-2-ynyl]acetamide
CID 90549332
2-(2,5-dioxopyrrolidin-1-yl)-N-[3-(4-fluorophenyl)prop-2-ynyl]acetamide
CID 90548247
N-[3-[4-(dimethylamino)phenyl]prop-2-ynyl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide
CID 90551963
N-(2-chlorophenyl)-2-(2,5-dioxopyrrolidin-1-yl)acetamide
CID 17034752
N-[3-(2-chlorophenyl)prop-2-ynyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 90548751
N-[3-(2-chlorophenyl)prop-2-ynyl]-4-methylbenzamide
CID 90548651
2-(1,3-benzothiazol-2-ylsulfanyl)-N-[3-(2-chlorophenyl)prop-2-ynyl]acetamide
CID 90548578
1-(4-tert-butylphenyl)-3-[3-(2-chlorophenyl)prop-2-ynyl]urea
CID 90552935
N-[3-(2-chlorophenyl)prop-2-ynyl]-1H-indole-5-carboxamide
CID 90548825
2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)-N-(3-phenylprop-2-ynyl)acetamide
CID 24615515
N-[3-(2-chlorophenyl)prop-2-ynyl]-2,3-dimethoxybenzamide
CID 90548664
2-(2,5-dioxopyrrolidin-1-yl)-N-(2-hydroxy-3-phenylpropyl)acetamide
CID 90534330

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-chlorophenyl)prop-2-ynyl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide?
The IUPAC name of N-[3-(2-chlorophenyl)prop-2-ynyl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide (CID 90548784) is N-[3-(2-chlorophenyl)prop-2-ynyl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide.
What is the SMILES notation for N-[3-(2-chlorophenyl)prop-2-ynyl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide?
The canonical SMILES for N-[3-(2-chlorophenyl)prop-2-ynyl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide is O=C(CN1C(=O)CCC1=O)NCC#Cc1ccccc1Cl.
What is the InChIKey of N-[3-(2-chlorophenyl)prop-2-ynyl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide?
The InChIKey is HKZWSMBDCWGCLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O3/c16-12-6-2-1-4-11(12)5-3-9-17-13(19)10-18-14(20)7-8-15(18)21/h1-2,4,6H,7-10H2,(H,17,19).
What are the key properties of N-[3-(2-chlorophenyl)prop-2-ynyl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide?
N-[3-(2-chlorophenyl)prop-2-ynyl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide has a molecular weight of 304.73 g/mol, XLogP of 0.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-chlorophenyl)prop-2-ynyl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide is sourced from PubChem (CID 90548784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).