N-(2,6-dichlorophenyl)-9H-xanthene-9-carboxamide

C20H13Cl2NO2 — CID 1219741

IUPACN-(2,6-dichlorophenyl)-9H-xanthene-9-carboxamide
SMILESO=C(Nc1c(Cl)cccc1Cl)C1c2ccccc2Oc2ccccc21
InChIInChI=1S/C20H13Cl2NO2/c21-14-8-5-9-15(22)19(14)23-20(24)18-12-6-1-3-10-16(12)25-17-11-4-2-7-13(17)18/h1-11,18H,(H,23,24)
InChIKeyJDRAMFOUGICENS-UHFFFAOYSA-N
MW370.24 g/mol
LogP5.87
Rot. Bonds2

About N-(2,6-dichlorophenyl)-9H-xanthene-9-carboxamide

N-(2,6-dichlorophenyl)-9H-xanthene-9-carboxamide (PubChem CID 1219741) has the molecular formula C20H13Cl2NO2 and a molecular weight of 370.24 g/mol. Its IUPAC name is N-(2,6-dichlorophenyl)-9H-xanthene-9-carboxamide.

Molecular Properties

Compound NameN-(2,6-dichlorophenyl)-9H-xanthene-9-carboxamide
PubChem CID1219741
Molecular FormulaC20H13Cl2NO2
Molecular Weight370.24 g/mol
Exact Mass369.03
IUPAC NameN-(2,6-dichlorophenyl)-9H-xanthene-9-carboxamide
SMILESO=C(Nc1c(Cl)cccc1Cl)C1c2ccccc2Oc2ccccc21
InChIInChI=1S/C20H13Cl2NO2/c21-14-8-5-9-15(22)19(14)23-20(24)18-12-6-1-3-10-16(12)25-17-11-4-2-7-13(17)18/h1-11,18H,(H,23,24)
InChIKeyJDRAMFOUGICENS-UHFFFAOYSA-N
XLogP5.87
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.24
LogP ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichlorophenyl)-9H-xanthene-9-carboxamide?
The IUPAC name of N-(2,6-dichlorophenyl)-9H-xanthene-9-carboxamide (CID 1219741) is N-(2,6-dichlorophenyl)-9H-xanthene-9-carboxamide.
What is the SMILES notation for N-(2,6-dichlorophenyl)-9H-xanthene-9-carboxamide?
The canonical SMILES for N-(2,6-dichlorophenyl)-9H-xanthene-9-carboxamide is O=C(Nc1c(Cl)cccc1Cl)C1c2ccccc2Oc2ccccc21.
What is the InChIKey of N-(2,6-dichlorophenyl)-9H-xanthene-9-carboxamide?
The InChIKey is JDRAMFOUGICENS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13Cl2NO2/c21-14-8-5-9-15(22)19(14)23-20(24)18-12-6-1-3-10-16(12)25-17-11-4-2-7-13(17)18/h1-11,18H,(H,23,24).
What are the key properties of N-(2,6-dichlorophenyl)-9H-xanthene-9-carboxamide?
N-(2,6-dichlorophenyl)-9H-xanthene-9-carboxamide has a molecular weight of 370.24 g/mol, XLogP of 5.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichlorophenyl)-9H-xanthene-9-carboxamide is sourced from PubChem (CID 1219741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).