N-[3-chloro-4-(2,5-dioxopyrrolidin-1-yl)phenyl]-2-phenylacetamide

C18H15ClN2O3 — CID 142663321

IUPACN-[3-chloro-4-(2,5-dioxopyrrolidin-1-yl)phenyl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)Nc1ccc(N2C(=O)CCC2=O)c(Cl)c1
InChIInChI=1S/C18H15ClN2O3/c19-14-11-13(20-16(22)10-12-4-2-1-3-5-12)6-7-15(14)21-17(23)8-9-18(21)24/h1-7,11H,8-10H2,(H,20,22)
InChIKeyDUKDQJOIFGFFLN-UHFFFAOYSA-N
MW342.78 g/mol
LogP3.17
Rot. Bonds4

About N-[3-chloro-4-(2,5-dioxopyrrolidin-1-yl)phenyl]-2-phenylacetamide

N-[3-chloro-4-(2,5-dioxopyrrolidin-1-yl)phenyl]-2-phenylacetamide (PubChem CID 142663321) has the molecular formula C18H15ClN2O3 and a molecular weight of 342.78 g/mol. Its IUPAC name is N-[3-chloro-4-(2,5-dioxopyrrolidin-1-yl)phenyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[3-chloro-4-(2,5-dioxopyrrolidin-1-yl)phenyl]-2-phenylacetamide
PubChem CID142663321
Molecular FormulaC18H15ClN2O3
Molecular Weight342.78 g/mol
Exact Mass342.08
IUPAC NameN-[3-chloro-4-(2,5-dioxopyrrolidin-1-yl)phenyl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)Nc1ccc(N2C(=O)CCC2=O)c(Cl)c1
InChIInChI=1S/C18H15ClN2O3/c19-14-11-13(20-16(22)10-12-4-2-1-3-5-12)6-7-15(14)21-17(23)8-9-18(21)24/h1-7,11H,8-10H2,(H,20,22)
InChIKeyDUKDQJOIFGFFLN-UHFFFAOYSA-N
XLogP3.17
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.78
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-2-(2,3-dihydro-1H-inden-5-yl)acetamide
CID 55778666
N-[3-chloro-4-(4-propanoylpiperazin-1-yl)phenyl]-2-phenylacetamide
CID 2997299
N-[3-chloro-4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-2-phenylacetamide
CID 979626
N-(3-chloro-4-fluorophenyl)-2-phenylacetamide
CID 871803
N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 55726255
N-[3-chloro-4-(2,5-dioxopyrrolidin-1-yl)phenyl]pyridine-4-carboxamide
CID 58280035
N-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-2-(4-fluorophenyl)acetamide
CID 16926873
N-(3,4-dichlorophenyl)-4-[(2-phenylacetyl)amino]benzamide
CID 17119394
N-[4-[(4-chlorophenyl)methyl]-3-oxo-1,4-benzoxazin-7-yl]-2-phenylacetamide
CID 6488709
N-[4-[2-(3,4-dichloroanilino)-2-oxoethyl]sulfanylphenyl]-2-phenylacetamide
CID 22781801
1-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-(3,4-dichlorophenyl)urea
CID 30376488
N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-2-phenylacetamide
CID 3541809

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(2,5-dioxopyrrolidin-1-yl)phenyl]-2-phenylacetamide?
The IUPAC name of N-[3-chloro-4-(2,5-dioxopyrrolidin-1-yl)phenyl]-2-phenylacetamide (CID 142663321) is N-[3-chloro-4-(2,5-dioxopyrrolidin-1-yl)phenyl]-2-phenylacetamide.
What is the SMILES notation for N-[3-chloro-4-(2,5-dioxopyrrolidin-1-yl)phenyl]-2-phenylacetamide?
The canonical SMILES for N-[3-chloro-4-(2,5-dioxopyrrolidin-1-yl)phenyl]-2-phenylacetamide is O=C(Cc1ccccc1)Nc1ccc(N2C(=O)CCC2=O)c(Cl)c1.
What is the InChIKey of N-[3-chloro-4-(2,5-dioxopyrrolidin-1-yl)phenyl]-2-phenylacetamide?
The InChIKey is DUKDQJOIFGFFLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O3/c19-14-11-13(20-16(22)10-12-4-2-1-3-5-12)6-7-15(14)21-17(23)8-9-18(21)24/h1-7,11H,8-10H2,(H,20,22).
What are the key properties of N-[3-chloro-4-(2,5-dioxopyrrolidin-1-yl)phenyl]-2-phenylacetamide?
N-[3-chloro-4-(2,5-dioxopyrrolidin-1-yl)phenyl]-2-phenylacetamide has a molecular weight of 342.78 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(2,5-dioxopyrrolidin-1-yl)phenyl]-2-phenylacetamide is sourced from PubChem (CID 142663321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).