N-[4-chloro-2-(trifluoromethyl)phenyl]-5-methylfuran-2-carboxamide

C13H9ClF3NO2 — CID 1245061

IUPACN-[4-chloro-2-(trifluoromethyl)phenyl]-5-methylfuran-2-carboxamide
SMILESCc1ccc(C(=O)Nc2ccc(Cl)cc2C(F)(F)F)o1
InChIInChI=1S/C13H9ClF3NO2/c1-7-2-5-11(20-7)12(19)18-10-4-3-8(14)6-9(10)13(15,16)17/h2-6H,1H3,(H,18,19)
InChIKeyFVIUEPCEBHCBIR-UHFFFAOYSA-N
MW303.67 g/mol
LogP4.51
Rot. Bonds2

About N-[4-chloro-2-(trifluoromethyl)phenyl]-5-methylfuran-2-carboxamide

N-[4-chloro-2-(trifluoromethyl)phenyl]-5-methylfuran-2-carboxamide (PubChem CID 1245061) has the molecular formula C13H9ClF3NO2 and a molecular weight of 303.67 g/mol. Its IUPAC name is N-[4-chloro-2-(trifluoromethyl)phenyl]-5-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-2-(trifluoromethyl)phenyl]-5-methylfuran-2-carboxamide
PubChem CID1245061
Molecular FormulaC13H9ClF3NO2
Molecular Weight303.67 g/mol
Exact Mass303.03
IUPAC NameN-[4-chloro-2-(trifluoromethyl)phenyl]-5-methylfuran-2-carboxamide
SMILESCc1ccc(C(=O)Nc2ccc(Cl)cc2C(F)(F)F)o1
InChIInChI=1S/C13H9ClF3NO2/c1-7-2-5-11(20-7)12(19)18-10-4-3-8(14)6-9(10)13(15,16)17/h2-6H,1H3,(H,18,19)
InChIKeyFVIUEPCEBHCBIR-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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Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-(trifluoromethyl)phenyl]-5-methylfuran-2-carboxamide?
The IUPAC name of N-[4-chloro-2-(trifluoromethyl)phenyl]-5-methylfuran-2-carboxamide (CID 1245061) is N-[4-chloro-2-(trifluoromethyl)phenyl]-5-methylfuran-2-carboxamide.
What is the SMILES notation for N-[4-chloro-2-(trifluoromethyl)phenyl]-5-methylfuran-2-carboxamide?
The canonical SMILES for N-[4-chloro-2-(trifluoromethyl)phenyl]-5-methylfuran-2-carboxamide is Cc1ccc(C(=O)Nc2ccc(Cl)cc2C(F)(F)F)o1.
What is the InChIKey of N-[4-chloro-2-(trifluoromethyl)phenyl]-5-methylfuran-2-carboxamide?
The InChIKey is FVIUEPCEBHCBIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClF3NO2/c1-7-2-5-11(20-7)12(19)18-10-4-3-8(14)6-9(10)13(15,16)17/h2-6H,1H3,(H,18,19).
What are the key properties of N-[4-chloro-2-(trifluoromethyl)phenyl]-5-methylfuran-2-carboxamide?
N-[4-chloro-2-(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-[4-chloro-2-(trifluoromethyl)phenyl]-5-methylfuran-2-carboxamide is sourced from PubChem (CID 1245061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).