N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]furan-3-carboxamide

C13H9ClF3NO3 — CID 37175499

IUPACN-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]furan-3-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1OCC(F)(F)F)c1ccoc1
InChIInChI=1S/C13H9ClF3NO3/c14-9-1-2-11(21-7-13(15,16)17)10(5-9)18-12(19)8-3-4-20-6-8/h1-6H,7H2,(H,18,19)
InChIKeyJWTBAUUVTWMFAP-UHFFFAOYSA-N
MW319.67 g/mol
LogP4.13
Rot. Bonds4

About N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]furan-3-carboxamide

N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]furan-3-carboxamide (PubChem CID 37175499) has the molecular formula C13H9ClF3NO3 and a molecular weight of 319.67 g/mol. Its IUPAC name is N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]furan-3-carboxamide
PubChem CID37175499
Molecular FormulaC13H9ClF3NO3
Molecular Weight319.67 g/mol
Exact Mass319.02
IUPAC NameN-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]furan-3-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1OCC(F)(F)F)c1ccoc1
InChIInChI=1S/C13H9ClF3NO3/c14-9-1-2-11(21-7-13(15,16)17)10(5-9)18-12(19)8-3-4-20-6-8/h1-6H,7H2,(H,18,19)
InChIKeyJWTBAUUVTWMFAP-UHFFFAOYSA-N
XLogP4.13
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.67
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-4-fluorobenzamide
CID 30473788
N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-4-iodobenzamide
CID 55520956
N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-2,6-difluorobenzamide
CID 134027237
N-[2-propoxy-5-(trifluoromethyl)phenyl]furan-3-carboxamide
CID 17398504
N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-4-(1,3-dithiolan-2-yl)benzamide
CID 30473938
N-[5-chloro-2-(4-methylphenoxy)phenyl]furan-3-carboxamide
CID 34131638
2-(4-chlorophenoxy)-N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]acetamide
CID 134027239
N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-2,3-dimethyl-1H-indole-5-carboxamide
CID 134027334
N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-2-(difluoromethoxy)benzamide
CID 30473926
N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-3-(2-oxoimidazolidin-1-yl)benzamide
CID 55699288
N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-2,3-dimethoxybenzamide
CID 134027238
N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-4-(2-cyanoethylsulfamoyl)benzamide
CID 37175902

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]furan-3-carboxamide?
The IUPAC name of N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]furan-3-carboxamide (CID 37175499) is N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]furan-3-carboxamide.
What is the SMILES notation for N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]furan-3-carboxamide?
The canonical SMILES for N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]furan-3-carboxamide is O=C(Nc1cc(Cl)ccc1OCC(F)(F)F)c1ccoc1.
What is the InChIKey of N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]furan-3-carboxamide?
The InChIKey is JWTBAUUVTWMFAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClF3NO3/c14-9-1-2-11(21-7-13(15,16)17)10(5-9)18-12(19)8-3-4-20-6-8/h1-6H,7H2,(H,18,19).
What are the key properties of N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]furan-3-carboxamide?
N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]furan-3-carboxamide has a molecular weight of 319.67 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]furan-3-carboxamide is sourced from PubChem (CID 37175499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).