5-bromo-N-(2-chloro-6-fluorophenyl)-6-fluoro-2,2-dimethylchromene-8-carboxamide

C18H13BrClF2NO2 — CID 162364562

IUPAC5-bromo-N-(2-chloro-6-fluorophenyl)-6-fluoro-2,2-dimethylchromene-8-carboxamide
SMILESCC1(C)C=Cc2c(Br)c(F)cc(C(=O)Nc3c(F)cccc3Cl)c2O1
InChIInChI=1S/C18H13BrClF2NO2/c1-18(2)7-6-9-14(19)13(22)8-10(16(9)25-18)17(24)23-15-11(20)4-3-5-12(15)21/h3-8H,1-2H3,(H,23,24)
InChIKeyFEKBVGRHPPHSQS-UHFFFAOYSA-N
MW428.66 g/mol
LogP5.82
Rot. Bonds2

About 5-bromo-N-(2-chloro-6-fluorophenyl)-6-fluoro-2,2-dimethylchromene-8-carboxamide

5-bromo-N-(2-chloro-6-fluorophenyl)-6-fluoro-2,2-dimethylchromene-8-carboxamide (PubChem CID 162364562) has the molecular formula C18H13BrClF2NO2 and a molecular weight of 428.66 g/mol. Its IUPAC name is 5-bromo-N-(2-chloro-6-fluorophenyl)-6-fluoro-2,2-dimethylchromene-8-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(2-chloro-6-fluorophenyl)-6-fluoro-2,2-dimethylchromene-8-carboxamide
PubChem CID162364562
Molecular FormulaC18H13BrClF2NO2
Molecular Weight428.66 g/mol
Exact Mass426.98
IUPAC Name5-bromo-N-(2-chloro-6-fluorophenyl)-6-fluoro-2,2-dimethylchromene-8-carboxamide
SMILESCC1(C)C=Cc2c(Br)c(F)cc(C(=O)Nc3c(F)cccc3Cl)c2O1
InChIInChI=1S/C18H13BrClF2NO2/c1-18(2)7-6-9-14(19)13(22)8-10(16(9)25-18)17(24)23-15-11(20)4-3-5-12(15)21/h3-8H,1-2H3,(H,23,24)
InChIKeyFEKBVGRHPPHSQS-UHFFFAOYSA-N
XLogP5.82
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.66
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-N-(2-chloro-6-fluorophenyl)-2-(methylamino)pyridine-4-carboxamide
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4-bromo-N-(2-chloro-6-fluorophenyl)-5-fluoro-2-[(2S)-pentan-2-yl]oxybenzamide
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2-bromo-4-chloro-N-(2,6-difluorophenyl)benzamide
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CID 60667247
5-amino-N-(2-chloro-6-fluorophenyl)pyrazine-2-carboxamide
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1-(2-chloro-6-fluorophenyl)-3-methylurea
CID 21161279
3-bromo-N-(2,6-dichlorophenyl)-2-fluorobenzamide
CID 107951647
N-[4-[(2-chloro-6-fluorophenyl)carbamoylamino]phenyl]acetamide
CID 108896360
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CID 114023836

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-chloro-6-fluorophenyl)-6-fluoro-2,2-dimethylchromene-8-carboxamide?
The IUPAC name of 5-bromo-N-(2-chloro-6-fluorophenyl)-6-fluoro-2,2-dimethylchromene-8-carboxamide (CID 162364562) is 5-bromo-N-(2-chloro-6-fluorophenyl)-6-fluoro-2,2-dimethylchromene-8-carboxamide.
What is the SMILES notation for 5-bromo-N-(2-chloro-6-fluorophenyl)-6-fluoro-2,2-dimethylchromene-8-carboxamide?
The canonical SMILES for 5-bromo-N-(2-chloro-6-fluorophenyl)-6-fluoro-2,2-dimethylchromene-8-carboxamide is CC1(C)C=Cc2c(Br)c(F)cc(C(=O)Nc3c(F)cccc3Cl)c2O1.
What is the InChIKey of 5-bromo-N-(2-chloro-6-fluorophenyl)-6-fluoro-2,2-dimethylchromene-8-carboxamide?
The InChIKey is FEKBVGRHPPHSQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13BrClF2NO2/c1-18(2)7-6-9-14(19)13(22)8-10(16(9)25-18)17(24)23-15-11(20)4-3-5-12(15)21/h3-8H,1-2H3,(H,23,24).
What are the key properties of 5-bromo-N-(2-chloro-6-fluorophenyl)-6-fluoro-2,2-dimethylchromene-8-carboxamide?
5-bromo-N-(2-chloro-6-fluorophenyl)-6-fluoro-2,2-dimethylchromene-8-carboxamide has a molecular weight of 428.66 g/mol, XLogP of 5.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-chloro-6-fluorophenyl)-6-fluoro-2,2-dimethylchromene-8-carboxamide is sourced from PubChem (CID 162364562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).