N-(3,4-dichlorophenyl)-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide

C18H11Cl2N3O3 — CID 89031602

IUPACN-(3,4-dichlorophenyl)-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide
SMILESO=C(Cn1ncc2c(=O)oc3ccccc3c21)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H11Cl2N3O3/c19-13-6-5-10(7-14(13)20)22-16(24)9-23-17-11-3-1-2-4-15(11)26-18(25)12(17)8-21-23/h1-8H,9H2,(H,22,24)
InChIKeyGNCPHOPYEIRQID-UHFFFAOYSA-N
MW388.21 g/mol
LogP4.09
Rot. Bonds3

About N-(3,4-dichlorophenyl)-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide

N-(3,4-dichlorophenyl)-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide (PubChem CID 89031602) has the molecular formula C18H11Cl2N3O3 and a molecular weight of 388.21 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide
PubChem CID89031602
Molecular FormulaC18H11Cl2N3O3
Molecular Weight388.21 g/mol
Exact Mass387.02
IUPAC NameN-(3,4-dichlorophenyl)-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide
SMILESO=C(Cn1ncc2c(=O)oc3ccccc3c21)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H11Cl2N3O3/c19-13-6-5-10(7-14(13)20)22-16(24)9-23-17-11-3-1-2-4-15(11)26-18(25)12(17)8-21-23/h1-8H,9H2,(H,22,24)
InChIKeyGNCPHOPYEIRQID-UHFFFAOYSA-N
XLogP4.09
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.21
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide?
The IUPAC name of N-(3,4-dichlorophenyl)-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide (CID 89031602) is N-(3,4-dichlorophenyl)-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide is O=C(Cn1ncc2c(=O)oc3ccccc3c21)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-(3,4-dichlorophenyl)-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide?
The InChIKey is GNCPHOPYEIRQID-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11Cl2N3O3/c19-13-6-5-10(7-14(13)20)22-16(24)9-23-17-11-3-1-2-4-15(11)26-18(25)12(17)8-21-23/h1-8H,9H2,(H,22,24).
What are the key properties of N-(3,4-dichlorophenyl)-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide?
N-(3,4-dichlorophenyl)-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide has a molecular weight of 388.21 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide is sourced from PubChem (CID 89031602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).