2-chloro-N-(5-chloro-9-oxoxanthen-3-yl)benzamide

C20H11Cl2NO3 — CID 4901432

IUPAC2-chloro-N-(5-chloro-9-oxoxanthen-3-yl)benzamide
SMILESO=C(Nc1ccc2c(=O)c3cccc(Cl)c3oc2c1)c1ccccc1Cl
InChIInChI=1S/C20H11Cl2NO3/c21-15-6-2-1-4-12(15)20(25)23-11-8-9-13-17(10-11)26-19-14(18(13)24)5-3-7-16(19)22/h1-10H,(H,23,25)
InChIKeyZVXZWRXVOQRGRM-UHFFFAOYSA-N
MW384.22 g/mol
LogP5.51
Rot. Bonds2

About 2-chloro-N-(5-chloro-9-oxoxanthen-3-yl)benzamide

2-chloro-N-(5-chloro-9-oxoxanthen-3-yl)benzamide (PubChem CID 4901432) has the molecular formula C20H11Cl2NO3 and a molecular weight of 384.22 g/mol. Its IUPAC name is 2-chloro-N-(5-chloro-9-oxoxanthen-3-yl)benzamide.

Molecular Properties

Compound Name2-chloro-N-(5-chloro-9-oxoxanthen-3-yl)benzamide
PubChem CID4901432
Molecular FormulaC20H11Cl2NO3
Molecular Weight384.22 g/mol
Exact Mass383.01
IUPAC Name2-chloro-N-(5-chloro-9-oxoxanthen-3-yl)benzamide
SMILESO=C(Nc1ccc2c(=O)c3cccc(Cl)c3oc2c1)c1ccccc1Cl
InChIInChI=1S/C20H11Cl2NO3/c21-15-6-2-1-4-12(15)20(25)23-11-8-9-13-17(10-11)26-19-14(18(13)24)5-3-7-16(19)22/h1-10H,(H,23,25)
InChIKeyZVXZWRXVOQRGRM-UHFFFAOYSA-N
XLogP5.51
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.22
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(5-chloro-9-oxoxanthen-3-yl)benzamide?
The IUPAC name of 2-chloro-N-(5-chloro-9-oxoxanthen-3-yl)benzamide (CID 4901432) is 2-chloro-N-(5-chloro-9-oxoxanthen-3-yl)benzamide.
What is the SMILES notation for 2-chloro-N-(5-chloro-9-oxoxanthen-3-yl)benzamide?
The canonical SMILES for 2-chloro-N-(5-chloro-9-oxoxanthen-3-yl)benzamide is O=C(Nc1ccc2c(=O)c3cccc(Cl)c3oc2c1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-(5-chloro-9-oxoxanthen-3-yl)benzamide?
The InChIKey is ZVXZWRXVOQRGRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11Cl2NO3/c21-15-6-2-1-4-12(15)20(25)23-11-8-9-13-17(10-11)26-19-14(18(13)24)5-3-7-16(19)22/h1-10H,(H,23,25).
What are the key properties of 2-chloro-N-(5-chloro-9-oxoxanthen-3-yl)benzamide?
2-chloro-N-(5-chloro-9-oxoxanthen-3-yl)benzamide has a molecular weight of 384.22 g/mol, XLogP of 5.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(5-chloro-9-oxoxanthen-3-yl)benzamide is sourced from PubChem (CID 4901432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).