6-bromo-N-[1-(4-fluorophenyl)ethyl]-2H-chromene-3-carboxamide

C18H15BrFNO2 — CID 24616207

IUPAC6-bromo-N-[1-(4-fluorophenyl)ethyl]-2H-chromene-3-carboxamide
SMILESCC(NC(=O)C1=Cc2cc(Br)ccc2OC1)c1ccc(F)cc1
InChIInChI=1S/C18H15BrFNO2/c1-11(12-2-5-16(20)6-3-12)21-18(22)14-8-13-9-15(19)4-7-17(13)23-10-14/h2-9,11H,10H2,1H3,(H,21,22)
InChIKeyAQJBZJUGGSQSQH-UHFFFAOYSA-N
MW376.23 g/mol
LogP4.24
Rot. Bonds3

About 6-bromo-N-[1-(4-fluorophenyl)ethyl]-2H-chromene-3-carboxamide

6-bromo-N-[1-(4-fluorophenyl)ethyl]-2H-chromene-3-carboxamide (PubChem CID 24616207) has the molecular formula C18H15BrFNO2 and a molecular weight of 376.23 g/mol. Its IUPAC name is 6-bromo-N-[1-(4-fluorophenyl)ethyl]-2H-chromene-3-carboxamide.

Molecular Properties

Compound Name6-bromo-N-[1-(4-fluorophenyl)ethyl]-2H-chromene-3-carboxamide
PubChem CID24616207
Molecular FormulaC18H15BrFNO2
Molecular Weight376.23 g/mol
Exact Mass375.03
IUPAC Name6-bromo-N-[1-(4-fluorophenyl)ethyl]-2H-chromene-3-carboxamide
SMILESCC(NC(=O)C1=Cc2cc(Br)ccc2OC1)c1ccc(F)cc1
InChIInChI=1S/C18H15BrFNO2/c1-11(12-2-5-16(20)6-3-12)21-18(22)14-8-13-9-15(19)4-7-17(13)23-10-14/h2-9,11H,10H2,1H3,(H,21,22)
InChIKeyAQJBZJUGGSQSQH-UHFFFAOYSA-N
XLogP4.24
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.23
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[1-(4-fluorophenyl)ethyl]-2H-chromene-3-carboxamide?
The IUPAC name of 6-bromo-N-[1-(4-fluorophenyl)ethyl]-2H-chromene-3-carboxamide (CID 24616207) is 6-bromo-N-[1-(4-fluorophenyl)ethyl]-2H-chromene-3-carboxamide.
What is the SMILES notation for 6-bromo-N-[1-(4-fluorophenyl)ethyl]-2H-chromene-3-carboxamide?
The canonical SMILES for 6-bromo-N-[1-(4-fluorophenyl)ethyl]-2H-chromene-3-carboxamide is CC(NC(=O)C1=Cc2cc(Br)ccc2OC1)c1ccc(F)cc1.
What is the InChIKey of 6-bromo-N-[1-(4-fluorophenyl)ethyl]-2H-chromene-3-carboxamide?
The InChIKey is AQJBZJUGGSQSQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrFNO2/c1-11(12-2-5-16(20)6-3-12)21-18(22)14-8-13-9-15(19)4-7-17(13)23-10-14/h2-9,11H,10H2,1H3,(H,21,22).
What are the key properties of 6-bromo-N-[1-(4-fluorophenyl)ethyl]-2H-chromene-3-carboxamide?
6-bromo-N-[1-(4-fluorophenyl)ethyl]-2H-chromene-3-carboxamide has a molecular weight of 376.23 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[1-(4-fluorophenyl)ethyl]-2H-chromene-3-carboxamide is sourced from PubChem (CID 24616207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).