N-[2-chloro-5-(trifluoromethyl)phenyl]-5-methylfuran-2-carboxamide

C13H9ClF3NO2 — CID 4175923

IUPACN-[2-chloro-5-(trifluoromethyl)phenyl]-5-methylfuran-2-carboxamide
SMILESCc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)o1
InChIInChI=1S/C13H9ClF3NO2/c1-7-2-5-11(20-7)12(19)18-10-6-8(13(15,16)17)3-4-9(10)14/h2-6H,1H3,(H,18,19)
InChIKeyBBIHJQQEPXUQSU-UHFFFAOYSA-N
MW303.67 g/mol
LogP4.51
Rot. Bonds2

About N-[2-chloro-5-(trifluoromethyl)phenyl]-5-methylfuran-2-carboxamide

N-[2-chloro-5-(trifluoromethyl)phenyl]-5-methylfuran-2-carboxamide (PubChem CID 4175923) has the molecular formula C13H9ClF3NO2 and a molecular weight of 303.67 g/mol. Its IUPAC name is N-[2-chloro-5-(trifluoromethyl)phenyl]-5-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-chloro-5-(trifluoromethyl)phenyl]-5-methylfuran-2-carboxamide
PubChem CID4175923
Molecular FormulaC13H9ClF3NO2
Molecular Weight303.67 g/mol
Exact Mass303.03
IUPAC NameN-[2-chloro-5-(trifluoromethyl)phenyl]-5-methylfuran-2-carboxamide
SMILESCc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)o1
InChIInChI=1S/C13H9ClF3NO2/c1-7-2-5-11(20-7)12(19)18-10-6-8(13(15,16)17)3-4-9(10)14/h2-6H,1H3,(H,18,19)
InChIKeyBBIHJQQEPXUQSU-UHFFFAOYSA-N
XLogP4.51
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.67
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-chloro-5-(trifluoromethyl)phenyl]-5-(methylsulfamoyl)furan-2-carboxamide
CID 112521234
N-[2-chloro-5-(trifluoromethyl)phenyl]-5-(3,4-dimethylphenyl)furan-2-carboxamide
CID 3551441
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[4-(5-methylfuran-2-carbonyl)piperazin-1-yl]acetamide
CID 86879234
N-[2-chloro-5-(trifluoromethyl)phenyl]-8-methyl-4-oxochromene-2-carboxamide
CID 19119011
N-[2-chloro-5-(trifluoromethyl)phenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 110682635
N-[2-chloro-5-(trifluoromethyl)phenyl]-4-oxochromene-2-carboxamide
CID 17014479
methyl 4-[[2-chloro-5-(trifluoromethyl)phenyl]carbamoyl]benzoate
CID 54787072
N-(2-chloro-4,5-dimethoxyphenyl)-5-methylfuran-2-carboxamide
CID 18139943
N-[2-chloro-5-(trifluoromethyl)phenyl]-2,6-difluorobenzamide
CID 17173190
3-chloro-N-[2-chloro-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 66464004
6-bromo-N-[2-chloro-5-(trifluoromethyl)phenyl]-4-oxochromene-2-carboxamide
CID 35181492
5-[2-chloro-5-(trifluoromethyl)phenyl]-N-(2,4-dichlorophenyl)furan-2-carboxamide
CID 3643749

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-5-methylfuran-2-carboxamide?
The IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-5-methylfuran-2-carboxamide (CID 4175923) is N-[2-chloro-5-(trifluoromethyl)phenyl]-5-methylfuran-2-carboxamide.
What is the SMILES notation for N-[2-chloro-5-(trifluoromethyl)phenyl]-5-methylfuran-2-carboxamide?
The canonical SMILES for N-[2-chloro-5-(trifluoromethyl)phenyl]-5-methylfuran-2-carboxamide is Cc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)o1.
What is the InChIKey of N-[2-chloro-5-(trifluoromethyl)phenyl]-5-methylfuran-2-carboxamide?
The InChIKey is BBIHJQQEPXUQSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClF3NO2/c1-7-2-5-11(20-7)12(19)18-10-6-8(13(15,16)17)3-4-9(10)14/h2-6H,1H3,(H,18,19).
What are the key properties of N-[2-chloro-5-(trifluoromethyl)phenyl]-5-methylfuran-2-carboxamide?
N-[2-chloro-5-(trifluoromethyl)phenyl]-5-methylfuran-2-carboxamide has a molecular weight of 303.67 g/mol, XLogP of 4.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(trifluoromethyl)phenyl]-5-methylfuran-2-carboxamide is sourced from PubChem (CID 4175923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).