6-bromo-N-[2-chloro-5-(trifluoromethyl)phenyl]-4-oxochromene-2-carboxamide

C17H8BrClF3NO3 — CID 35181492

IUPAC6-bromo-N-[2-chloro-5-(trifluoromethyl)phenyl]-4-oxochromene-2-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1Cl)c1cc(=O)c2cc(Br)ccc2o1
InChIInChI=1S/C17H8BrClF3NO3/c18-9-2-4-14-10(6-9)13(24)7-15(26-14)16(25)23-12-5-8(17(20,21)22)1-3-11(12)19/h1-7H,(H,23,25)
InChIKeyXIJGNYJZHOBPPE-UHFFFAOYSA-N
MW446.61 g/mol
LogP5.48
Rot. Bonds2

About 6-bromo-N-[2-chloro-5-(trifluoromethyl)phenyl]-4-oxochromene-2-carboxamide

6-bromo-N-[2-chloro-5-(trifluoromethyl)phenyl]-4-oxochromene-2-carboxamide (PubChem CID 35181492) has the molecular formula C17H8BrClF3NO3 and a molecular weight of 446.61 g/mol. Its IUPAC name is 6-bromo-N-[2-chloro-5-(trifluoromethyl)phenyl]-4-oxochromene-2-carboxamide.

Molecular Properties

Compound Name6-bromo-N-[2-chloro-5-(trifluoromethyl)phenyl]-4-oxochromene-2-carboxamide
PubChem CID35181492
Molecular FormulaC17H8BrClF3NO3
Molecular Weight446.61 g/mol
Exact Mass444.93
IUPAC Name6-bromo-N-[2-chloro-5-(trifluoromethyl)phenyl]-4-oxochromene-2-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1Cl)c1cc(=O)c2cc(Br)ccc2o1
InChIInChI=1S/C17H8BrClF3NO3/c18-9-2-4-14-10(6-9)13(24)7-15(26-14)16(25)23-12-5-8(17(20,21)22)1-3-11(12)19/h1-7H,(H,23,25)
InChIKeyXIJGNYJZHOBPPE-UHFFFAOYSA-N
XLogP5.48
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.61
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-chloro-5-(trifluoromethyl)phenyl]-4-oxochromene-2-carboxamide
CID 17014479
N-[2-chloro-5-(trifluoromethyl)phenyl]-8-methyl-4-oxochromene-2-carboxamide
CID 19119011
6-bromo-N-(4-chlorophenyl)-4-oxochromene-2-carboxamide
CID 35181653
N-[2-chloro-5-(trifluoromethyl)phenyl]-4-(6-methyl-4-oxochromen-2-yl)benzamide
CID 108803042
4-bromo-N-[2-chloro-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 132587573
N-[2-chloro-5-(trifluoromethyl)phenyl]-5-methylfuran-2-carboxamide
CID 4175923
N-[2-chloro-5-(trifluoromethyl)phenyl]-5-(methylsulfamoyl)furan-2-carboxamide
CID 112521234
N-(5-bromo-2-chlorophenyl)-3-(trifluoromethyl)benzamide
CID 62909273
1-(4-bromophenyl)-3-[2-chloro-5-(trifluoromethyl)phenyl]urea
CID 17300332
N-(2-chlorophenyl)-4-oxochromene-2-carboxamide
CID 892812
1-[1-(4-bromophenyl)ethyl]-3-[2-chloro-5-(trifluoromethyl)phenyl]urea
CID 3379513
5-bromo-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-propoxybenzamide
CID 54787114

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[2-chloro-5-(trifluoromethyl)phenyl]-4-oxochromene-2-carboxamide?
The IUPAC name of 6-bromo-N-[2-chloro-5-(trifluoromethyl)phenyl]-4-oxochromene-2-carboxamide (CID 35181492) is 6-bromo-N-[2-chloro-5-(trifluoromethyl)phenyl]-4-oxochromene-2-carboxamide.
What is the SMILES notation for 6-bromo-N-[2-chloro-5-(trifluoromethyl)phenyl]-4-oxochromene-2-carboxamide?
The canonical SMILES for 6-bromo-N-[2-chloro-5-(trifluoromethyl)phenyl]-4-oxochromene-2-carboxamide is O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1cc(=O)c2cc(Br)ccc2o1.
What is the InChIKey of 6-bromo-N-[2-chloro-5-(trifluoromethyl)phenyl]-4-oxochromene-2-carboxamide?
The InChIKey is XIJGNYJZHOBPPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H8BrClF3NO3/c18-9-2-4-14-10(6-9)13(24)7-15(26-14)16(25)23-12-5-8(17(20,21)22)1-3-11(12)19/h1-7H,(H,23,25).
What are the key properties of 6-bromo-N-[2-chloro-5-(trifluoromethyl)phenyl]-4-oxochromene-2-carboxamide?
6-bromo-N-[2-chloro-5-(trifluoromethyl)phenyl]-4-oxochromene-2-carboxamide has a molecular weight of 446.61 g/mol, XLogP of 5.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[2-chloro-5-(trifluoromethyl)phenyl]-4-oxochromene-2-carboxamide is sourced from PubChem (CID 35181492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).