N-[[3-(trifluoromethyl)phenyl]methyl]furan-3-carboxamide

C13H10F3NO2 — CID 27515082

IUPACN-[[3-(trifluoromethyl)phenyl]methyl]furan-3-carboxamide
SMILESO=C(NCc1cccc(C(F)(F)F)c1)c1ccoc1
InChIInChI=1S/C13H10F3NO2/c14-13(15,16)11-3-1-2-9(6-11)7-17-12(18)10-4-5-19-8-10/h1-6,8H,7H2,(H,17,18)
InChIKeyBXIONMWKMKLERK-UHFFFAOYSA-N
MW269.22 g/mol
LogP3.23
Rot. Bonds3

About N-[[3-(trifluoromethyl)phenyl]methyl]furan-3-carboxamide

N-[[3-(trifluoromethyl)phenyl]methyl]furan-3-carboxamide (PubChem CID 27515082) has the molecular formula C13H10F3NO2 and a molecular weight of 269.22 g/mol. Its IUPAC name is N-[[3-(trifluoromethyl)phenyl]methyl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[[3-(trifluoromethyl)phenyl]methyl]furan-3-carboxamide
PubChem CID27515082
Molecular FormulaC13H10F3NO2
Molecular Weight269.22 g/mol
Exact Mass269.07
IUPAC NameN-[[3-(trifluoromethyl)phenyl]methyl]furan-3-carboxamide
SMILESO=C(NCc1cccc(C(F)(F)F)c1)c1ccoc1
InChIInChI=1S/C13H10F3NO2/c14-13(15,16)11-3-1-2-9(6-11)7-17-12(18)10-4-5-19-8-10/h1-6,8H,7H2,(H,17,18)
InChIKeyBXIONMWKMKLERK-UHFFFAOYSA-N
XLogP3.23
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.22
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2S)-1-oxo-1-[[3-(trifluoromethyl)phenyl]methylamino]propan-2-yl]furan-3-carboxamide
CID 94031986
3-[(furan-3-carbonylamino)methyl]benzoic acid
CID 60894235
3-(trifluoromethyl)-N-[[3-[[[3-(trifluoromethyl)benzoyl]amino]methyl]phenyl]methyl]benzamide
CID 4076220
4-sulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 107020234
3-(furan-3-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 134798902
2-[3-(trifluoromethyl)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 26241577
N-[2-phenyl-1,1-bis[3-(trifluoromethyl)phenyl]ethyl]furan-3-carboxamide
CID 59459002
N-[[3-(trifluoromethyl)phenyl]methyl]thiophene-3-carboxamide
CID 17436374
4-(dimethylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 27515025
4-cyano-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 18291756
N-[2-oxo-2-[[3-(trifluoromethyl)phenyl]methylamino]ethyl]benzamide
CID 26887208
N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]furan-3-carboxamide
CID 18149564

Frequently Asked Questions

What is the IUPAC name of N-[[3-(trifluoromethyl)phenyl]methyl]furan-3-carboxamide?
The IUPAC name of N-[[3-(trifluoromethyl)phenyl]methyl]furan-3-carboxamide (CID 27515082) is N-[[3-(trifluoromethyl)phenyl]methyl]furan-3-carboxamide.
What is the SMILES notation for N-[[3-(trifluoromethyl)phenyl]methyl]furan-3-carboxamide?
The canonical SMILES for N-[[3-(trifluoromethyl)phenyl]methyl]furan-3-carboxamide is O=C(NCc1cccc(C(F)(F)F)c1)c1ccoc1.
What is the InChIKey of N-[[3-(trifluoromethyl)phenyl]methyl]furan-3-carboxamide?
The InChIKey is BXIONMWKMKLERK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3NO2/c14-13(15,16)11-3-1-2-9(6-11)7-17-12(18)10-4-5-19-8-10/h1-6,8H,7H2,(H,17,18).
What are the key properties of N-[[3-(trifluoromethyl)phenyl]methyl]furan-3-carboxamide?
N-[[3-(trifluoromethyl)phenyl]methyl]furan-3-carboxamide has a molecular weight of 269.22 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(trifluoromethyl)phenyl]methyl]furan-3-carboxamide is sourced from PubChem (CID 27515082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).