6-bromo-N-[2-(cyclohexen-1-yl)ethyl]-2H-chromene-3-carboxamide

C18H20BrNO2 — CID 22578541

IUPAC6-bromo-N-[2-(cyclohexen-1-yl)ethyl]-2H-chromene-3-carboxamide
SMILESO=C(NCCC1=CCCCC1)C1=Cc2cc(Br)ccc2OC1
InChIInChI=1S/C18H20BrNO2/c19-16-6-7-17-14(11-16)10-15(12-22-17)18(21)20-9-8-13-4-2-1-3-5-13/h4,6-7,10-11H,1-3,5,8-9,12H2,(H,20,21)
InChIKeyCUEOODYSKPAIEW-UHFFFAOYSA-N
MW362.27 g/mol
LogP4.23
Rot. Bonds4

About 6-bromo-N-[2-(cyclohexen-1-yl)ethyl]-2H-chromene-3-carboxamide

6-bromo-N-[2-(cyclohexen-1-yl)ethyl]-2H-chromene-3-carboxamide (PubChem CID 22578541) has the molecular formula C18H20BrNO2 and a molecular weight of 362.27 g/mol. Its IUPAC name is 6-bromo-N-[2-(cyclohexen-1-yl)ethyl]-2H-chromene-3-carboxamide.

Molecular Properties

Compound Name6-bromo-N-[2-(cyclohexen-1-yl)ethyl]-2H-chromene-3-carboxamide
PubChem CID22578541
Molecular FormulaC18H20BrNO2
Molecular Weight362.27 g/mol
Exact Mass361.07
IUPAC Name6-bromo-N-[2-(cyclohexen-1-yl)ethyl]-2H-chromene-3-carboxamide
SMILESO=C(NCCC1=CCCCC1)C1=Cc2cc(Br)ccc2OC1
InChIInChI=1S/C18H20BrNO2/c19-16-6-7-17-14(11-16)10-15(12-22-17)18(21)20-9-8-13-4-2-1-3-5-13/h4,6-7,10-11H,1-3,5,8-9,12H2,(H,20,21)
InChIKeyCUEOODYSKPAIEW-UHFFFAOYSA-N
XLogP4.23
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.27
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

6-bromo-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-2H-chromene-3-carboxamide
CID 64546411
5-bromo-N-[2-(cyclohexen-1-yl)ethyl]-2-ethoxybenzamide
CID 17352908
6-bromo-N-[(3-methyloxetan-3-yl)methyl]-2H-chromene-3-carboxamide
CID 78957328
5-chloro-N-[2-(cyclohexen-1-yl)ethyl]furan-2-carboxamide
CID 29413921
5-bromo-N-[2-(cyclohexen-1-yl)ethyl]-3-methyl-1-benzofuran-2-carboxamide
CID 18286511
2-[(6-bromo-2H-chromene-3-carbonyl)amino]-3-hydroxypropanoic acid
CID 43357667
4-bromo-N-[2-(cyclohexen-1-yl)ethyl]-3-(dimethylsulfamoyl)benzamide
CID 30500581
2,4-dichloro-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 835962
2-amino-N-[2-(cyclohexen-1-yl)ethyl]-4-fluorobenzamide
CID 62072440
2-bromo-N-[2-(cyclohexen-1-yl)ethyl]pyridine-3-carboxamide
CID 103751992
3-bromo-N-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]benzamide
CID 46652282
2-chloro-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 835623

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[2-(cyclohexen-1-yl)ethyl]-2H-chromene-3-carboxamide?
The IUPAC name of 6-bromo-N-[2-(cyclohexen-1-yl)ethyl]-2H-chromene-3-carboxamide (CID 22578541) is 6-bromo-N-[2-(cyclohexen-1-yl)ethyl]-2H-chromene-3-carboxamide.
What is the SMILES notation for 6-bromo-N-[2-(cyclohexen-1-yl)ethyl]-2H-chromene-3-carboxamide?
The canonical SMILES for 6-bromo-N-[2-(cyclohexen-1-yl)ethyl]-2H-chromene-3-carboxamide is O=C(NCCC1=CCCCC1)C1=Cc2cc(Br)ccc2OC1.
What is the InChIKey of 6-bromo-N-[2-(cyclohexen-1-yl)ethyl]-2H-chromene-3-carboxamide?
The InChIKey is CUEOODYSKPAIEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrNO2/c19-16-6-7-17-14(11-16)10-15(12-22-17)18(21)20-9-8-13-4-2-1-3-5-13/h4,6-7,10-11H,1-3,5,8-9,12H2,(H,20,21).
What are the key properties of 6-bromo-N-[2-(cyclohexen-1-yl)ethyl]-2H-chromene-3-carboxamide?
6-bromo-N-[2-(cyclohexen-1-yl)ethyl]-2H-chromene-3-carboxamide has a molecular weight of 362.27 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[2-(cyclohexen-1-yl)ethyl]-2H-chromene-3-carboxamide is sourced from PubChem (CID 22578541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).