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

C12H7ClF3NO2 — CID 669401

IUPACN-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1Cl)c1ccco1
InChIInChI=1S/C12H7ClF3NO2/c13-8-4-3-7(12(14,15)16)6-9(8)17-11(18)10-2-1-5-19-10/h1-6H,(H,17,18)
InChIKeyATKKHNQDJDJCLD-UHFFFAOYSA-N
MW289.64 g/mol
LogP4.20
Rot. Bonds2

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

N-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-carboxamide (PubChem CID 669401) has the molecular formula C12H7ClF3NO2 and a molecular weight of 289.64 g/mol. Its IUPAC name is N-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-carboxamide
PubChem CID669401
Molecular FormulaC12H7ClF3NO2
Molecular Weight289.64 g/mol
Exact Mass289.01
IUPAC NameN-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1Cl)c1ccco1
InChIInChI=1S/C12H7ClF3NO2/c13-8-4-3-7(12(14,15)16)6-9(8)17-11(18)10-2-1-5-19-10/h1-6H,(H,17,18)
InChIKeyATKKHNQDJDJCLD-UHFFFAOYSA-N
XLogP4.20
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.64
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-carboxamide?
The IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-carboxamide (CID 669401) is N-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-carboxamide?
The canonical SMILES for N-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-carboxamide is O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1ccco1.
What is the InChIKey of N-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-carboxamide?
The InChIKey is ATKKHNQDJDJCLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClF3NO2/c13-8-4-3-7(12(14,15)16)6-9(8)17-11(18)10-2-1-5-19-10/h1-6H,(H,17,18).
What are the key properties of N-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-carboxamide?
N-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-carboxamide has a molecular weight of 289.64 g/mol, XLogP of 4.20, 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]furan-2-carboxamide is sourced from PubChem (CID 669401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).