N-[4-chloro-3-(trifluoromethyl)phenyl]-2-methylfuran-3-carboxamide

C13H9ClF3NO2 — CID 8777631

IUPACN-[4-chloro-3-(trifluoromethyl)phenyl]-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C13H9ClF3NO2/c1-7-9(4-5-20-7)12(19)18-8-2-3-11(14)10(6-8)13(15,16)17/h2-6H,1H3,(H,18,19)
InChIKeyLHBVQTRCXVVZLA-UHFFFAOYSA-N
MW303.67 g/mol
LogP4.51
Rot. Bonds2

About N-[4-chloro-3-(trifluoromethyl)phenyl]-2-methylfuran-3-carboxamide

N-[4-chloro-3-(trifluoromethyl)phenyl]-2-methylfuran-3-carboxamide (PubChem CID 8777631) has the molecular formula C13H9ClF3NO2 and a molecular weight of 303.67 g/mol. Its IUPAC name is N-[4-chloro-3-(trifluoromethyl)phenyl]-2-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-3-(trifluoromethyl)phenyl]-2-methylfuran-3-carboxamide
PubChem CID8777631
Molecular FormulaC13H9ClF3NO2
Molecular Weight303.67 g/mol
Exact Mass303.03
IUPAC NameN-[4-chloro-3-(trifluoromethyl)phenyl]-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C13H9ClF3NO2/c1-7-9(4-5-20-7)12(19)18-8-2-3-11(14)10(6-8)13(15,16)17/h2-6H,1H3,(H,18,19)
InChIKeyLHBVQTRCXVVZLA-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-3-(trifluoromethyl)phenyl]-2-methylfuran-3-carboxamide?
The IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-methylfuran-3-carboxamide (CID 8777631) is N-[4-chloro-3-(trifluoromethyl)phenyl]-2-methylfuran-3-carboxamide.
What is the SMILES notation for N-[4-chloro-3-(trifluoromethyl)phenyl]-2-methylfuran-3-carboxamide?
The canonical SMILES for N-[4-chloro-3-(trifluoromethyl)phenyl]-2-methylfuran-3-carboxamide is Cc1occc1C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-methylfuran-3-carboxamide?
The InChIKey is LHBVQTRCXVVZLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClF3NO2/c1-7-9(4-5-20-7)12(19)18-8-2-3-11(14)10(6-8)13(15,16)17/h2-6H,1H3,(H,18,19).
What are the key properties of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-methylfuran-3-carboxamide?
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-methylfuran-3-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-3-(trifluoromethyl)phenyl]-2-methylfuran-3-carboxamide is sourced from PubChem (CID 8777631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).