8-(2,6-dichlorophenyl)-3,4-dihydro-2H-chromene-2-carboxamide

C16H13Cl2NO2 — CID 69165462

IUPAC8-(2,6-dichlorophenyl)-3,4-dihydro-2H-chromene-2-carboxamide
SMILESNC(=O)C1CCc2cccc(-c3c(Cl)cccc3Cl)c2O1
InChIInChI=1S/C16H13Cl2NO2/c17-11-5-2-6-12(18)14(11)10-4-1-3-9-7-8-13(16(19)20)21-15(9)10/h1-6,13H,7-8H2,(H2,19,20)
InChIKeyXQZMHZYZAHYOIL-UHFFFAOYSA-N
MW322.19 g/mol
LogP3.84
Rot. Bonds2

About 8-(2,6-dichlorophenyl)-3,4-dihydro-2H-chromene-2-carboxamide

8-(2,6-dichlorophenyl)-3,4-dihydro-2H-chromene-2-carboxamide (PubChem CID 69165462) has the molecular formula C16H13Cl2NO2 and a molecular weight of 322.19 g/mol. Its IUPAC name is 8-(2,6-dichlorophenyl)-3,4-dihydro-2H-chromene-2-carboxamide.

Molecular Properties

Compound Name8-(2,6-dichlorophenyl)-3,4-dihydro-2H-chromene-2-carboxamide
PubChem CID69165462
Molecular FormulaC16H13Cl2NO2
Molecular Weight322.19 g/mol
Exact Mass321.03
IUPAC Name8-(2,6-dichlorophenyl)-3,4-dihydro-2H-chromene-2-carboxamide
SMILESNC(=O)C1CCc2cccc(-c3c(Cl)cccc3Cl)c2O1
InChIInChI=1S/C16H13Cl2NO2/c17-11-5-2-6-12(18)14(11)10-4-1-3-9-7-8-13(16(19)20)21-15(9)10/h1-6,13H,7-8H2,(H2,19,20)
InChIKeyXQZMHZYZAHYOIL-UHFFFAOYSA-N
XLogP3.84
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.19
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-(2,6-dichlorophenyl)-3,4-dihydro-2H-chromene-2-carboxamide?
The IUPAC name of 8-(2,6-dichlorophenyl)-3,4-dihydro-2H-chromene-2-carboxamide (CID 69165462) is 8-(2,6-dichlorophenyl)-3,4-dihydro-2H-chromene-2-carboxamide.
What is the SMILES notation for 8-(2,6-dichlorophenyl)-3,4-dihydro-2H-chromene-2-carboxamide?
The canonical SMILES for 8-(2,6-dichlorophenyl)-3,4-dihydro-2H-chromene-2-carboxamide is NC(=O)C1CCc2cccc(-c3c(Cl)cccc3Cl)c2O1.
What is the InChIKey of 8-(2,6-dichlorophenyl)-3,4-dihydro-2H-chromene-2-carboxamide?
The InChIKey is XQZMHZYZAHYOIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2NO2/c17-11-5-2-6-12(18)14(11)10-4-1-3-9-7-8-13(16(19)20)21-15(9)10/h1-6,13H,7-8H2,(H2,19,20).
What are the key properties of 8-(2,6-dichlorophenyl)-3,4-dihydro-2H-chromene-2-carboxamide?
8-(2,6-dichlorophenyl)-3,4-dihydro-2H-chromene-2-carboxamide has a molecular weight of 322.19 g/mol, XLogP of 3.84, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,6-dichlorophenyl)-3,4-dihydro-2H-chromene-2-carboxamide is sourced from PubChem (CID 69165462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).