N-(2,5-dichlorophenyl)-2-(4-fluoro-1,3-dioxoisoindol-2-yl)acetamide

C16H9Cl2FN2O3 — CID 113201778

IUPACN-(2,5-dichlorophenyl)-2-(4-fluoro-1,3-dioxoisoindol-2-yl)acetamide
SMILESO=C(CN1C(=O)c2cccc(F)c2C1=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C16H9Cl2FN2O3/c17-8-4-5-10(18)12(6-8)20-13(22)7-21-15(23)9-2-1-3-11(19)14(9)16(21)24/h1-6H,7H2,(H,20,22)
InChIKeyVNNURERYUMIBOH-UHFFFAOYSA-N
MW367.16 g/mol
LogP3.37
Rot. Bonds3

About N-(2,5-dichlorophenyl)-2-(4-fluoro-1,3-dioxoisoindol-2-yl)acetamide

N-(2,5-dichlorophenyl)-2-(4-fluoro-1,3-dioxoisoindol-2-yl)acetamide (PubChem CID 113201778) has the molecular formula C16H9Cl2FN2O3 and a molecular weight of 367.16 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-2-(4-fluoro-1,3-dioxoisoindol-2-yl)acetamide.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-2-(4-fluoro-1,3-dioxoisoindol-2-yl)acetamide
PubChem CID113201778
Molecular FormulaC16H9Cl2FN2O3
Molecular Weight367.16 g/mol
Exact Mass366.00
IUPAC NameN-(2,5-dichlorophenyl)-2-(4-fluoro-1,3-dioxoisoindol-2-yl)acetamide
SMILESO=C(CN1C(=O)c2cccc(F)c2C1=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C16H9Cl2FN2O3/c17-8-4-5-10(18)12(6-8)20-13(22)7-21-15(23)9-2-1-3-11(19)14(9)16(21)24/h1-6H,7H2,(H,20,22)
InChIKeyVNNURERYUMIBOH-UHFFFAOYSA-N
XLogP3.37
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.16
LogP ≤ 53.37
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-chloro-2-methylphenyl)-2-(4-fluoro-1,3-dioxoisoindol-2-yl)acetamide
CID 113201722
2-(4-chloro-1,3-dioxoisoindol-2-yl)-N-(2,4-difluorophenyl)acetamide
CID 113201414
2-(4-chloro-1,3-dioxoisoindol-2-yl)-N-(2-chlorophenyl)acetamide
CID 113201368
N-(2-chloro-4,6-dimethylphenyl)-2-(4-fluoro-1,3-dioxoisoindol-2-yl)acetamide
CID 113201725
N-(4-chloro-2-fluorophenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 2711737
N-(3-chloro-4-methoxyphenyl)-2-(4-fluoro-1,3-dioxoisoindol-2-yl)acetamide
CID 113201726
N-(2,4-dichlorophenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 884604
2-(4-chloro-1,3-dioxoisoindol-2-yl)-N-(3-chloro-2-methylphenyl)acetamide
CID 113201371
2-(4-fluoro-1,3-dioxoisoindol-2-yl)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 113201773
2-(4-fluoro-1,3-dioxoisoindol-2-yl)acetic acid
CID 130161137
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-nitro-1,3-dioxoisoindol-2-yl)acetamide
CID 18100419
N-butyl-2-(4-fluoro-1,3-dioxoisoindol-2-yl)acetamide
CID 113201607

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-2-(4-fluoro-1,3-dioxoisoindol-2-yl)acetamide?
The IUPAC name of N-(2,5-dichlorophenyl)-2-(4-fluoro-1,3-dioxoisoindol-2-yl)acetamide (CID 113201778) is N-(2,5-dichlorophenyl)-2-(4-fluoro-1,3-dioxoisoindol-2-yl)acetamide.
What is the SMILES notation for N-(2,5-dichlorophenyl)-2-(4-fluoro-1,3-dioxoisoindol-2-yl)acetamide?
The canonical SMILES for N-(2,5-dichlorophenyl)-2-(4-fluoro-1,3-dioxoisoindol-2-yl)acetamide is O=C(CN1C(=O)c2cccc(F)c2C1=O)Nc1cc(Cl)ccc1Cl.
What is the InChIKey of N-(2,5-dichlorophenyl)-2-(4-fluoro-1,3-dioxoisoindol-2-yl)acetamide?
The InChIKey is VNNURERYUMIBOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9Cl2FN2O3/c17-8-4-5-10(18)12(6-8)20-13(22)7-21-15(23)9-2-1-3-11(19)14(9)16(21)24/h1-6H,7H2,(H,20,22).
What are the key properties of N-(2,5-dichlorophenyl)-2-(4-fluoro-1,3-dioxoisoindol-2-yl)acetamide?
N-(2,5-dichlorophenyl)-2-(4-fluoro-1,3-dioxoisoindol-2-yl)acetamide has a molecular weight of 367.16 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichlorophenyl)-2-(4-fluoro-1,3-dioxoisoindol-2-yl)acetamide is sourced from PubChem (CID 113201778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).