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

C18H14BrF2NO2 — CID 24616289

IUPAC6-bromo-N-[1-(3,4-difluorophenyl)ethyl]-2H-chromene-3-carboxamide
SMILESCC(NC(=O)C1=Cc2cc(Br)ccc2OC1)c1ccc(F)c(F)c1
InChIInChI=1S/C18H14BrF2NO2/c1-10(11-2-4-15(20)16(21)8-11)22-18(23)13-6-12-7-14(19)3-5-17(12)24-9-13/h2-8,10H,9H2,1H3,(H,22,23)
InChIKeyOGSPNNJHBVAZLK-UHFFFAOYSA-N
MW394.22 g/mol
LogP4.38
Rot. Bonds3

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

6-bromo-N-[1-(3,4-difluorophenyl)ethyl]-2H-chromene-3-carboxamide (PubChem CID 24616289) has the molecular formula C18H14BrF2NO2 and a molecular weight of 394.22 g/mol. Its IUPAC name is 6-bromo-N-[1-(3,4-difluorophenyl)ethyl]-2H-chromene-3-carboxamide.

Molecular Properties

Compound Name6-bromo-N-[1-(3,4-difluorophenyl)ethyl]-2H-chromene-3-carboxamide
PubChem CID24616289
Molecular FormulaC18H14BrF2NO2
Molecular Weight394.22 g/mol
Exact Mass393.02
IUPAC Name6-bromo-N-[1-(3,4-difluorophenyl)ethyl]-2H-chromene-3-carboxamide
SMILESCC(NC(=O)C1=Cc2cc(Br)ccc2OC1)c1ccc(F)c(F)c1
InChIInChI=1S/C18H14BrF2NO2/c1-10(11-2-4-15(20)16(21)8-11)22-18(23)13-6-12-7-14(19)3-5-17(12)24-9-13/h2-8,10H,9H2,1H3,(H,22,23)
InChIKeyOGSPNNJHBVAZLK-UHFFFAOYSA-N
XLogP4.38
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.22
LogP ≤ 54.38
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-(3,4-difluorophenyl)ethyl]-2H-chromene-3-carboxamide?
The IUPAC name of 6-bromo-N-[1-(3,4-difluorophenyl)ethyl]-2H-chromene-3-carboxamide (CID 24616289) is 6-bromo-N-[1-(3,4-difluorophenyl)ethyl]-2H-chromene-3-carboxamide.
What is the SMILES notation for 6-bromo-N-[1-(3,4-difluorophenyl)ethyl]-2H-chromene-3-carboxamide?
The canonical SMILES for 6-bromo-N-[1-(3,4-difluorophenyl)ethyl]-2H-chromene-3-carboxamide is CC(NC(=O)C1=Cc2cc(Br)ccc2OC1)c1ccc(F)c(F)c1.
What is the InChIKey of 6-bromo-N-[1-(3,4-difluorophenyl)ethyl]-2H-chromene-3-carboxamide?
The InChIKey is OGSPNNJHBVAZLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BrF2NO2/c1-10(11-2-4-15(20)16(21)8-11)22-18(23)13-6-12-7-14(19)3-5-17(12)24-9-13/h2-8,10H,9H2,1H3,(H,22,23).
What are the key properties of 6-bromo-N-[1-(3,4-difluorophenyl)ethyl]-2H-chromene-3-carboxamide?
6-bromo-N-[1-(3,4-difluorophenyl)ethyl]-2H-chromene-3-carboxamide has a molecular weight of 394.22 g/mol, XLogP of 4.38, 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-(3,4-difluorophenyl)ethyl]-2H-chromene-3-carboxamide is sourced from PubChem (CID 24616289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).