4-[(6-cyano-3,4-dihydro-2H-chromen-7-yl)oxy]-N-(3,4-dihydro-2H-chromen-3-yl)benzamide

C26H22N2O4 — CID 141337856

IUPAC4-[(6-cyano-3,4-dihydro-2H-chromen-7-yl)oxy]-N-(3,4-dihydro-2H-chromen-3-yl)benzamide
SMILESN#Cc1cc2c(cc1Oc1ccc(C(=O)NC3COc4ccccc4C3)cc1)OCCC2
InChIInChI=1S/C26H22N2O4/c27-15-20-12-18-5-3-11-30-24(18)14-25(20)32-22-9-7-17(8-10-22)26(29)28-21-13-19-4-1-2-6-23(19)31-16-21/h1-2,4,6-10,12,14,21H,3,5,11,13,16H2,(H,28,29)
InChIKeyXMQMGHCPWYOGKI-UHFFFAOYSA-N
MW426.47 g/mol
LogP4.41
Rot. Bonds4

About 4-[(6-cyano-3,4-dihydro-2H-chromen-7-yl)oxy]-N-(3,4-dihydro-2H-chromen-3-yl)benzamide

4-[(6-cyano-3,4-dihydro-2H-chromen-7-yl)oxy]-N-(3,4-dihydro-2H-chromen-3-yl)benzamide (PubChem CID 141337856) has the molecular formula C26H22N2O4 and a molecular weight of 426.47 g/mol. Its IUPAC name is 4-[(6-cyano-3,4-dihydro-2H-chromen-7-yl)oxy]-N-(3,4-dihydro-2H-chromen-3-yl)benzamide.

Molecular Properties

Compound Name4-[(6-cyano-3,4-dihydro-2H-chromen-7-yl)oxy]-N-(3,4-dihydro-2H-chromen-3-yl)benzamide
PubChem CID141337856
Molecular FormulaC26H22N2O4
Molecular Weight426.47 g/mol
Exact Mass426.16
IUPAC Name4-[(6-cyano-3,4-dihydro-2H-chromen-7-yl)oxy]-N-(3,4-dihydro-2H-chromen-3-yl)benzamide
SMILESN#Cc1cc2c(cc1Oc1ccc(C(=O)NC3COc4ccccc4C3)cc1)OCCC2
InChIInChI=1S/C26H22N2O4/c27-15-20-12-18-5-3-11-30-24(18)14-25(20)32-22-9-7-17(8-10-22)26(29)28-21-13-19-4-1-2-6-23(19)31-16-21/h1-2,4,6-10,12,14,21H,3,5,11,13,16H2,(H,28,29)
InChIKeyXMQMGHCPWYOGKI-UHFFFAOYSA-N
XLogP4.41
TPSA80.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.47
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(6-cyano-3,4-dihydro-2H-chromen-7-yl)oxy]-N-(3,4-dihydro-2H-chromen-3-yl)benzamide?
The IUPAC name of 4-[(6-cyano-3,4-dihydro-2H-chromen-7-yl)oxy]-N-(3,4-dihydro-2H-chromen-3-yl)benzamide (CID 141337856) is 4-[(6-cyano-3,4-dihydro-2H-chromen-7-yl)oxy]-N-(3,4-dihydro-2H-chromen-3-yl)benzamide.
What is the SMILES notation for 4-[(6-cyano-3,4-dihydro-2H-chromen-7-yl)oxy]-N-(3,4-dihydro-2H-chromen-3-yl)benzamide?
The canonical SMILES for 4-[(6-cyano-3,4-dihydro-2H-chromen-7-yl)oxy]-N-(3,4-dihydro-2H-chromen-3-yl)benzamide is N#Cc1cc2c(cc1Oc1ccc(C(=O)NC3COc4ccccc4C3)cc1)OCCC2.
What is the InChIKey of 4-[(6-cyano-3,4-dihydro-2H-chromen-7-yl)oxy]-N-(3,4-dihydro-2H-chromen-3-yl)benzamide?
The InChIKey is XMQMGHCPWYOGKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N2O4/c27-15-20-12-18-5-3-11-30-24(18)14-25(20)32-22-9-7-17(8-10-22)26(29)28-21-13-19-4-1-2-6-23(19)31-16-21/h1-2,4,6-10,12,14,21H,3,5,11,13,16H2,(H,28,29).
What are the key properties of 4-[(6-cyano-3,4-dihydro-2H-chromen-7-yl)oxy]-N-(3,4-dihydro-2H-chromen-3-yl)benzamide?
4-[(6-cyano-3,4-dihydro-2H-chromen-7-yl)oxy]-N-(3,4-dihydro-2H-chromen-3-yl)benzamide has a molecular weight of 426.47 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-cyano-3,4-dihydro-2H-chromen-7-yl)oxy]-N-(3,4-dihydro-2H-chromen-3-yl)benzamide is sourced from PubChem (CID 141337856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).