N-[4-(1-benzyl-4-chloro-2,5-dioxopyrrol-3-yl)phenyl]acetamide

C19H15ClN2O3 — CID 110583553

IUPACN-[4-(1-benzyl-4-chloro-2,5-dioxopyrrol-3-yl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(C2=C(Cl)C(=O)N(Cc3ccccc3)C2=O)cc1
InChIInChI=1S/C19H15ClN2O3/c1-12(23)21-15-9-7-14(8-10-15)16-17(20)19(25)22(18(16)24)11-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,21,23)
InChIKeyKLPIRGKFFDJOTF-UHFFFAOYSA-N
MW354.79 g/mol
LogP3.16
Rot. Bonds4

About N-[4-(1-benzyl-4-chloro-2,5-dioxopyrrol-3-yl)phenyl]acetamide

N-[4-(1-benzyl-4-chloro-2,5-dioxopyrrol-3-yl)phenyl]acetamide (PubChem CID 110583553) has the molecular formula C19H15ClN2O3 and a molecular weight of 354.79 g/mol. Its IUPAC name is N-[4-(1-benzyl-4-chloro-2,5-dioxopyrrol-3-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(1-benzyl-4-chloro-2,5-dioxopyrrol-3-yl)phenyl]acetamide
PubChem CID110583553
Molecular FormulaC19H15ClN2O3
Molecular Weight354.79 g/mol
Exact Mass354.08
IUPAC NameN-[4-(1-benzyl-4-chloro-2,5-dioxopyrrol-3-yl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(C2=C(Cl)C(=O)N(Cc3ccccc3)C2=O)cc1
InChIInChI=1S/C19H15ClN2O3/c1-12(23)21-15-9-7-14(8-10-15)16-17(20)19(25)22(18(16)24)11-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,21,23)
InChIKeyKLPIRGKFFDJOTF-UHFFFAOYSA-N
XLogP3.16
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.79
LogP ≤ 53.16
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-[4-[1-benzyl-4-[benzyl(methyl)amino]-2,5-dioxopyrrol-3-yl]phenyl]acetamide
CID 110562529
N-[4-[4-anilino-1-[(4-methylphenyl)methyl]-2,5-dioxopyrrol-3-yl]phenyl]acetamide
CID 110596276
N-[4-[4-chloro-1-[2-(4-chlorophenyl)ethyl]-2,5-dioxopyrrol-3-yl]phenyl]acetamide
CID 110583537
1-benzyl-3-chloro-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione
CID 110584457
3-chloro-4-(4-methylphenyl)-1-[(4-methylphenyl)methyl]pyrrole-2,5-dione
CID 110584186
N-[4-[4-(N-ethylanilino)-2,5-dioxo-1-(pyridin-4-ylmethyl)pyrrol-3-yl]phenyl]acetamide
CID 110562507
3-chloro-1-[[4-(dimethylamino)phenyl]methyl]-4-phenylpyrrole-2,5-dione
CID 69148011
N-[4-[4-benzylsulfanyl-1-(furan-2-ylmethyl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide
CID 110562432
N-[4-[4-hydroxy-2,5-dioxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrol-3-yl]phenyl]acetamide
CID 110581286
N-[4-[4-chloro-1-(3,5-dichlorophenyl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide
CID 110583595
N-[4-[4-(3-fluoroanilino)-1-[(4-methylphenyl)methyl]-2,5-dioxopyrrol-3-yl]phenyl]acetamide
CID 110596270
N-[4-[4-[benzyl(methyl)amino]-2,5-dioxo-1-propylpyrrol-3-yl]phenyl]acetamide
CID 110562626

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-benzyl-4-chloro-2,5-dioxopyrrol-3-yl)phenyl]acetamide?
The IUPAC name of N-[4-(1-benzyl-4-chloro-2,5-dioxopyrrol-3-yl)phenyl]acetamide (CID 110583553) is N-[4-(1-benzyl-4-chloro-2,5-dioxopyrrol-3-yl)phenyl]acetamide.
What is the SMILES notation for N-[4-(1-benzyl-4-chloro-2,5-dioxopyrrol-3-yl)phenyl]acetamide?
The canonical SMILES for N-[4-(1-benzyl-4-chloro-2,5-dioxopyrrol-3-yl)phenyl]acetamide is CC(=O)Nc1ccc(C2=C(Cl)C(=O)N(Cc3ccccc3)C2=O)cc1.
What is the InChIKey of N-[4-(1-benzyl-4-chloro-2,5-dioxopyrrol-3-yl)phenyl]acetamide?
The InChIKey is KLPIRGKFFDJOTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN2O3/c1-12(23)21-15-9-7-14(8-10-15)16-17(20)19(25)22(18(16)24)11-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,21,23).
What are the key properties of N-[4-(1-benzyl-4-chloro-2,5-dioxopyrrol-3-yl)phenyl]acetamide?
N-[4-(1-benzyl-4-chloro-2,5-dioxopyrrol-3-yl)phenyl]acetamide has a molecular weight of 354.79 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-benzyl-4-chloro-2,5-dioxopyrrol-3-yl)phenyl]acetamide is sourced from PubChem (CID 110583553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).