8-bromo-N-(3,4-dihydro-2H-chromen-4-yl)-2,4-dimethyl-4H-chromene-3-carboxamide

C21H20BrNO3 — CID 146561803

IUPAC8-bromo-N-(3,4-dihydro-2H-chromen-4-yl)-2,4-dimethyl-4H-chromene-3-carboxamide
SMILESCC1=C(C(=O)NC2CCOc3ccccc32)C(C)c2cccc(Br)c2O1
InChIInChI=1S/C21H20BrNO3/c1-12-14-7-5-8-16(22)20(14)26-13(2)19(12)21(24)23-17-10-11-25-18-9-4-3-6-15(17)18/h3-9,12,17H,10-11H2,1-2H3,(H,23,24)
InChIKeyRUHCRETWMDEKSU-UHFFFAOYSA-N
MW414.30 g/mol
LogP4.86
Rot. Bonds2

About 8-bromo-N-(3,4-dihydro-2H-chromen-4-yl)-2,4-dimethyl-4H-chromene-3-carboxamide

8-bromo-N-(3,4-dihydro-2H-chromen-4-yl)-2,4-dimethyl-4H-chromene-3-carboxamide (PubChem CID 146561803) has the molecular formula C21H20BrNO3 and a molecular weight of 414.30 g/mol. Its IUPAC name is 8-bromo-N-(3,4-dihydro-2H-chromen-4-yl)-2,4-dimethyl-4H-chromene-3-carboxamide.

Molecular Properties

Compound Name8-bromo-N-(3,4-dihydro-2H-chromen-4-yl)-2,4-dimethyl-4H-chromene-3-carboxamide
PubChem CID146561803
Molecular FormulaC21H20BrNO3
Molecular Weight414.30 g/mol
Exact Mass413.06
IUPAC Name8-bromo-N-(3,4-dihydro-2H-chromen-4-yl)-2,4-dimethyl-4H-chromene-3-carboxamide
SMILESCC1=C(C(=O)NC2CCOc3ccccc32)C(C)c2cccc(Br)c2O1
InChIInChI=1S/C21H20BrNO3/c1-12-14-7-5-8-16(22)20(14)26-13(2)19(12)21(24)23-17-10-11-25-18-9-4-3-6-15(17)18/h3-9,12,17H,10-11H2,1-2H3,(H,23,24)
InChIKeyRUHCRETWMDEKSU-UHFFFAOYSA-N
XLogP4.86
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.30
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-bromo-2,4-dimethyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-4H-chromene-3-carboxamide
CID 146500546
4-bromo-N-(3,4-dihydro-2H-chromen-4-yl)-3-methylbenzamide
CID 115769510
3-bromo-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-methoxybenzamide
CID 8819799
1-(3,4-dihydro-2H-chromen-4-yl)-3-(2,6-dimethylphenyl)urea
CID 110866349
8-bromo-4-chloro-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]cinnoline-3-carboxamide
CID 137372084
N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-methylthiophene-2-carboxamide
CID 31284395
N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-4-fluoro-3-methyl-1-benzothiophene-2-carboxamide
CID 8819787
8-bromo-4-chloro-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]quinoline-3-carboxamide
CID 134498034
1-tert-butyl-3-(3,4-dihydro-2H-chromen-4-yl)urea
CID 110750051
N-(3,4-dihydro-2H-chromen-4-yl)-2-methylcyclopropane-1-carboxamide
CID 16559700
N-(3,4-dihydro-2H-chromen-4-yl)-3-methoxy-4-methylbenzamide
CID 18115323
N-(3,4-dihydro-2H-chromen-4-yl)pyridine-4-carboxamide
CID 18164392

Frequently Asked Questions

What is the IUPAC name of 8-bromo-N-(3,4-dihydro-2H-chromen-4-yl)-2,4-dimethyl-4H-chromene-3-carboxamide?
The IUPAC name of 8-bromo-N-(3,4-dihydro-2H-chromen-4-yl)-2,4-dimethyl-4H-chromene-3-carboxamide (CID 146561803) is 8-bromo-N-(3,4-dihydro-2H-chromen-4-yl)-2,4-dimethyl-4H-chromene-3-carboxamide.
What is the SMILES notation for 8-bromo-N-(3,4-dihydro-2H-chromen-4-yl)-2,4-dimethyl-4H-chromene-3-carboxamide?
The canonical SMILES for 8-bromo-N-(3,4-dihydro-2H-chromen-4-yl)-2,4-dimethyl-4H-chromene-3-carboxamide is CC1=C(C(=O)NC2CCOc3ccccc32)C(C)c2cccc(Br)c2O1.
What is the InChIKey of 8-bromo-N-(3,4-dihydro-2H-chromen-4-yl)-2,4-dimethyl-4H-chromene-3-carboxamide?
The InChIKey is RUHCRETWMDEKSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20BrNO3/c1-12-14-7-5-8-16(22)20(14)26-13(2)19(12)21(24)23-17-10-11-25-18-9-4-3-6-15(17)18/h3-9,12,17H,10-11H2,1-2H3,(H,23,24).
What are the key properties of 8-bromo-N-(3,4-dihydro-2H-chromen-4-yl)-2,4-dimethyl-4H-chromene-3-carboxamide?
8-bromo-N-(3,4-dihydro-2H-chromen-4-yl)-2,4-dimethyl-4H-chromene-3-carboxamide has a molecular weight of 414.30 g/mol, XLogP of 4.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-N-(3,4-dihydro-2H-chromen-4-yl)-2,4-dimethyl-4H-chromene-3-carboxamide is sourced from PubChem (CID 146561803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).