N-(2-benzylphenyl)-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetamide

C23H16Cl2N2O3 — CID 2708377

IUPACN-(2-benzylphenyl)-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetamide
SMILESO=C(CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O)Nc1ccccc1Cc1ccccc1
InChIInChI=1S/C23H16Cl2N2O3/c24-18-11-16-17(12-19(18)25)23(30)27(22(16)29)13-21(28)26-20-9-5-4-8-15(20)10-14-6-2-1-3-7-14/h1-9,11-12H,10,13H2,(H,26,28)
InChIKeyNBEMLHBKMCLVKB-UHFFFAOYSA-N
MW439.30 g/mol
LogP4.82
Rot. Bonds5

About N-(2-benzylphenyl)-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetamide

N-(2-benzylphenyl)-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetamide (PubChem CID 2708377) has the molecular formula C23H16Cl2N2O3 and a molecular weight of 439.30 g/mol. Its IUPAC name is N-(2-benzylphenyl)-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetamide.

Molecular Properties

Compound NameN-(2-benzylphenyl)-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetamide
PubChem CID2708377
Molecular FormulaC23H16Cl2N2O3
Molecular Weight439.30 g/mol
Exact Mass438.05
IUPAC NameN-(2-benzylphenyl)-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetamide
SMILESO=C(CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O)Nc1ccccc1Cc1ccccc1
InChIInChI=1S/C23H16Cl2N2O3/c24-18-11-16-17(12-19(18)25)23(30)27(22(16)29)13-21(28)26-20-9-5-4-8-15(20)10-14-6-2-1-3-7-14/h1-9,11-12H,10,13H2,(H,26,28)
InChIKeyNBEMLHBKMCLVKB-UHFFFAOYSA-N
XLogP4.82
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.30
LogP ≤ 54.82
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

2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-(2-ethylphenyl)acetamide
CID 7404543
2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-(2-phenylethyl)acetamide
CID 2708445
2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-[2-(difluoromethylsulfanyl)phenyl]acetamide
CID 41405171
2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 2708425
N-(4-bromo-2-chlorophenyl)-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetamide
CID 51536649
3-(2-benzylanilino)-3-oxopropanoic acid
CID 62230739
2-(4-chloro-1,3-dioxoisoindol-2-yl)-N-(2-chlorophenyl)acetamide
CID 113201368
N-(2,4-dichlorophenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 884604
N-(4-bromo-2-fluorophenyl)-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetamide
CID 16552792
N,N'-bis(2-benzylphenyl)oxamide
CID 2749119
N-(2-benzylphenyl)-2-(7-bromo-3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 38956965
N-(2-benzylphenyl)-2-(6-chloro-4-oxoquinazolin-3-yl)acetamide
CID 7488437

Frequently Asked Questions

What is the IUPAC name of N-(2-benzylphenyl)-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetamide?
The IUPAC name of N-(2-benzylphenyl)-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetamide (CID 2708377) is N-(2-benzylphenyl)-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetamide.
What is the SMILES notation for N-(2-benzylphenyl)-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetamide?
The canonical SMILES for N-(2-benzylphenyl)-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetamide is O=C(CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O)Nc1ccccc1Cc1ccccc1.
What is the InChIKey of N-(2-benzylphenyl)-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetamide?
The InChIKey is NBEMLHBKMCLVKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16Cl2N2O3/c24-18-11-16-17(12-19(18)25)23(30)27(22(16)29)13-21(28)26-20-9-5-4-8-15(20)10-14-6-2-1-3-7-14/h1-9,11-12H,10,13H2,(H,26,28).
What are the key properties of N-(2-benzylphenyl)-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetamide?
N-(2-benzylphenyl)-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetamide has a molecular weight of 439.30 g/mol, XLogP of 4.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzylphenyl)-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetamide is sourced from PubChem (CID 2708377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).