N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]furan-3-carboxamide

C14H12F3NO3 — CID 18149564

IUPACN-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]furan-3-carboxamide
SMILESO=C(NCc1ccc(OCC(F)(F)F)cc1)c1ccoc1
InChIInChI=1S/C14H12F3NO3/c15-14(16,17)9-21-12-3-1-10(2-4-12)7-18-13(19)11-5-6-20-8-11/h1-6,8H,7,9H2,(H,18,19)
InChIKeyCWURFSLITYBJBE-UHFFFAOYSA-N
MW299.25 g/mol
LogP3.15
Rot. Bonds5

About N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]furan-3-carboxamide

N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]furan-3-carboxamide (PubChem CID 18149564) has the molecular formula C14H12F3NO3 and a molecular weight of 299.25 g/mol. Its IUPAC name is N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]furan-3-carboxamide
PubChem CID18149564
Molecular FormulaC14H12F3NO3
Molecular Weight299.25 g/mol
Exact Mass299.08
IUPAC NameN-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]furan-3-carboxamide
SMILESO=C(NCc1ccc(OCC(F)(F)F)cc1)c1ccoc1
InChIInChI=1S/C14H12F3NO3/c15-14(16,17)9-21-12-3-1-10(2-4-12)7-18-13(19)11-5-6-20-8-11/h1-6,8H,7,9H2,(H,18,19)
InChIKeyCWURFSLITYBJBE-UHFFFAOYSA-N
XLogP3.15
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.25
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-difluoro-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide
CID 30293255
N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide
CID 60713140
2-bromo-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide
CID 55257440
N-[[3-(trifluoromethyl)phenyl]methyl]furan-3-carboxamide
CID 27515082
2-amino-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide;hydrochloride
CID 119277633
4-(1,2,4-triazol-1-yl)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide
CID 18286168
N-(2,2,2-trifluoroethoxy)furan-3-carboxamide
CID 81344043
2-propan-2-yl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrazole-3-carboxamide
CID 136515447
4-(1,3-thiazol-4-ylmethoxy)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide
CID 18277019
3-acetamido-4-methyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide
CID 86991144
N-[[4-[(dimethylamino)methyl]phenyl]methyl]furan-3-carboxamide
CID 31544582
N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]furan-3-carboxamide
CID 18153751

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]furan-3-carboxamide?
The IUPAC name of N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]furan-3-carboxamide (CID 18149564) is N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]furan-3-carboxamide.
What is the SMILES notation for N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]furan-3-carboxamide?
The canonical SMILES for N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]furan-3-carboxamide is O=C(NCc1ccc(OCC(F)(F)F)cc1)c1ccoc1.
What is the InChIKey of N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]furan-3-carboxamide?
The InChIKey is CWURFSLITYBJBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3NO3/c15-14(16,17)9-21-12-3-1-10(2-4-12)7-18-13(19)11-5-6-20-8-11/h1-6,8H,7,9H2,(H,18,19).
What are the key properties of N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]furan-3-carboxamide?
N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]furan-3-carboxamide has a molecular weight of 299.25 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]furan-3-carboxamide is sourced from PubChem (CID 18149564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).