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

C18H11Cl2N3O4 — CID 49183275

IUPACN-(5-cyano-2-methoxyphenyl)-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetamide
SMILESCOc1ccc(C#N)cc1NC(=O)CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O
InChIInChI=1S/C18H11Cl2N3O4/c1-27-15-3-2-9(7-21)4-14(15)22-16(24)8-23-17(25)10-5-12(19)13(20)6-11(10)18(23)26/h2-6H,8H2,1H3,(H,22,24)
InChIKeyDAYFUNSNSFQUJE-UHFFFAOYSA-N
MW404.21 g/mol
LogP3.11
Rot. Bonds4

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

N-(5-cyano-2-methoxyphenyl)-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetamide (PubChem CID 49183275) has the molecular formula C18H11Cl2N3O4 and a molecular weight of 404.21 g/mol. Its IUPAC name is N-(5-cyano-2-methoxyphenyl)-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetamide.

Molecular Properties

Compound NameN-(5-cyano-2-methoxyphenyl)-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetamide
PubChem CID49183275
Molecular FormulaC18H11Cl2N3O4
Molecular Weight404.21 g/mol
Exact Mass403.01
IUPAC NameN-(5-cyano-2-methoxyphenyl)-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetamide
SMILESCOc1ccc(C#N)cc1NC(=O)CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O
InChIInChI=1S/C18H11Cl2N3O4/c1-27-15-3-2-9(7-21)4-14(15)22-16(24)8-23-17(25)10-5-12(19)13(20)6-11(10)18(23)26/h2-6H,8H2,1H3,(H,22,24)
InChIKeyDAYFUNSNSFQUJE-UHFFFAOYSA-N
XLogP3.11
TPSA99.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.21
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(5-cyano-2-methoxyphenyl)carbamic acid
CID 91205767
2-(1,3-dioxoisoindol-2-yl)-N-(5-fluoro-2-methoxyphenyl)acetamide
CID 110776571
2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]acetamide
CID 4831951
2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-(3,5-dimethoxyphenyl)acetamide
CID 2708454
2-(2-chloro-4-cyanophenoxy)-N-(2,5-dimethoxyphenyl)acetamide
CID 8975756
methyl 4-[[2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetyl]amino]-3-methylbenzoate
CID 36930835
N-(2-methoxy-5-methylphenyl)-2-(5-nitro-1,3-dioxoisoindol-2-yl)acetamide
CID 2581330
N-(2,5-dimethoxyphenyl)-2-(5-nitro-1,3-dioxoisoindol-2-yl)acetamide
CID 2233759
N-(5-chloro-2-methoxyphenyl)-2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)acetamide
CID 113201914
N-(5-cyano-2-methoxyphenyl)-2-(2,4-dioxo-1H-quinazolin-3-yl)acetamide
CID 49181940
2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-(2-ethylphenyl)acetamide
CID 7404543
N-(5-chloro-2-methoxyphenyl)-2-(4-cyanophenoxy)acetamide
CID 7503472

Frequently Asked Questions

What is the IUPAC name of N-(5-cyano-2-methoxyphenyl)-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetamide?
The IUPAC name of N-(5-cyano-2-methoxyphenyl)-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetamide (CID 49183275) is N-(5-cyano-2-methoxyphenyl)-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetamide.
What is the SMILES notation for N-(5-cyano-2-methoxyphenyl)-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetamide?
The canonical SMILES for N-(5-cyano-2-methoxyphenyl)-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetamide is COc1ccc(C#N)cc1NC(=O)CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O.
What is the InChIKey of N-(5-cyano-2-methoxyphenyl)-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetamide?
The InChIKey is DAYFUNSNSFQUJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11Cl2N3O4/c1-27-15-3-2-9(7-21)4-14(15)22-16(24)8-23-17(25)10-5-12(19)13(20)6-11(10)18(23)26/h2-6H,8H2,1H3,(H,22,24).
What are the key properties of N-(5-cyano-2-methoxyphenyl)-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetamide?
N-(5-cyano-2-methoxyphenyl)-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetamide has a molecular weight of 404.21 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyano-2-methoxyphenyl)-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetamide is sourced from PubChem (CID 49183275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).