N-(8-chloro-3,6-dihydro-2H-xanthen-2-yl)acetamide

C15H14ClNO2 — CID 70204279

IUPACN-(8-chloro-3,6-dihydro-2H-xanthen-2-yl)acetamide
SMILESCC(=O)NC1C=C2C=C3C(Cl)=CCC=C3OC2=CC1
InChIInChI=1S/C15H14ClNO2/c1-9(18)17-11-5-6-14-10(7-11)8-12-13(16)3-2-4-15(12)19-14/h3-4,6-8,11H,2,5H2,1H3,(H,17,18)
InChIKeyJOWLIORSCXXUAT-UHFFFAOYSA-N
MW275.74 g/mol
LogP3.07
Rot. Bonds1

About N-(8-chloro-3,6-dihydro-2H-xanthen-2-yl)acetamide

N-(8-chloro-3,6-dihydro-2H-xanthen-2-yl)acetamide (PubChem CID 70204279) has the molecular formula C15H14ClNO2 and a molecular weight of 275.74 g/mol. Its IUPAC name is N-(8-chloro-3,6-dihydro-2H-xanthen-2-yl)acetamide.

Molecular Properties

Compound NameN-(8-chloro-3,6-dihydro-2H-xanthen-2-yl)acetamide
PubChem CID70204279
Molecular FormulaC15H14ClNO2
Molecular Weight275.74 g/mol
Exact Mass275.07
IUPAC NameN-(8-chloro-3,6-dihydro-2H-xanthen-2-yl)acetamide
SMILESCC(=O)NC1C=C2C=C3C(Cl)=CCC=C3OC2=CC1
InChIInChI=1S/C15H14ClNO2/c1-9(18)17-11-5-6-14-10(7-11)8-12-13(16)3-2-4-15(12)19-14/h3-4,6-8,11H,2,5H2,1H3,(H,17,18)
InChIKeyJOWLIORSCXXUAT-UHFFFAOYSA-N
XLogP3.07
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(8-chloro-3,6-dihydro-2H-xanthen-2-yl)acetamide?
The IUPAC name of N-(8-chloro-3,6-dihydro-2H-xanthen-2-yl)acetamide (CID 70204279) is N-(8-chloro-3,6-dihydro-2H-xanthen-2-yl)acetamide.
What is the SMILES notation for N-(8-chloro-3,6-dihydro-2H-xanthen-2-yl)acetamide?
The canonical SMILES for N-(8-chloro-3,6-dihydro-2H-xanthen-2-yl)acetamide is CC(=O)NC1C=C2C=C3C(Cl)=CCC=C3OC2=CC1.
What is the InChIKey of N-(8-chloro-3,6-dihydro-2H-xanthen-2-yl)acetamide?
The InChIKey is JOWLIORSCXXUAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO2/c1-9(18)17-11-5-6-14-10(7-11)8-12-13(16)3-2-4-15(12)19-14/h3-4,6-8,11H,2,5H2,1H3,(H,17,18).
What are the key properties of N-(8-chloro-3,6-dihydro-2H-xanthen-2-yl)acetamide?
N-(8-chloro-3,6-dihydro-2H-xanthen-2-yl)acetamide has a molecular weight of 275.74 g/mol, XLogP of 3.07, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-chloro-3,6-dihydro-2H-xanthen-2-yl)acetamide is sourced from PubChem (CID 70204279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).