3-amino-3-[5-[4-(trifluoromethoxy)phenyl]furan-2-yl]propanamide

C14H13F3N2O3 — CID 170876267

IUPAC3-amino-3-[5-[4-(trifluoromethoxy)phenyl]furan-2-yl]propanamide
SMILESNC(=O)CC(N)c1ccc(-c2ccc(OC(F)(F)F)cc2)o1
InChIInChI=1S/C14H13F3N2O3/c15-14(16,17)22-9-3-1-8(2-4-9)11-5-6-12(21-11)10(18)7-13(19)20/h1-6,10H,7,18H2,(H2,19,20)
InChIKeyDOQJYJFGDMWEMR-UHFFFAOYSA-N
MW314.26 g/mol
LogP2.72
Rot. Bonds5

About 3-amino-3-[5-[4-(trifluoromethoxy)phenyl]furan-2-yl]propanamide

3-amino-3-[5-[4-(trifluoromethoxy)phenyl]furan-2-yl]propanamide (PubChem CID 170876267) has the molecular formula C14H13F3N2O3 and a molecular weight of 314.26 g/mol. Its IUPAC name is 3-amino-3-[5-[4-(trifluoromethoxy)phenyl]furan-2-yl]propanamide.

Molecular Properties

Compound Name3-amino-3-[5-[4-(trifluoromethoxy)phenyl]furan-2-yl]propanamide
PubChem CID170876267
Molecular FormulaC14H13F3N2O3
Molecular Weight314.26 g/mol
Exact Mass314.09
IUPAC Name3-amino-3-[5-[4-(trifluoromethoxy)phenyl]furan-2-yl]propanamide
SMILESNC(=O)CC(N)c1ccc(-c2ccc(OC(F)(F)F)cc2)o1
InChIInChI=1S/C14H13F3N2O3/c15-14(16,17)22-9-3-1-8(2-4-9)11-5-6-12(21-11)10(18)7-13(19)20/h1-6,10H,7,18H2,(H2,19,20)
InChIKeyDOQJYJFGDMWEMR-UHFFFAOYSA-N
XLogP2.72
TPSA91.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.26
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-3-[3-(trifluoromethoxy)phenyl]propanamide
CID 103694228
ethyl (3S)-3-amino-3-[4-[4-(trifluoromethoxy)phenyl]phenyl]propanoate
CID 154815468
3-[4-[4-(trifluoromethoxy)phenyl]phenyl]propanamide
CID 155345859
5-[4-(trifluoromethoxy)phenyl]furan-2-carbonyl azide
CID 19014305
methyl (3R)-3-amino-3-[4-(trifluoromethoxy)phenyl]propanoate
CID 29059481
5-[4-(trifluoromethoxy)phenyl]-1,2-oxazole-3-carbohydrazide
CID 86711960
3-amino-3-[2-hydroxy-3-(trifluoromethoxy)phenyl]propanamide
CID 170876399
methyl 3-amino-3-[4-(trifluoromethoxy)phenyl]propanoate;hydrochloride
CID 42957249
1-[[5-[4-(trifluoromethoxy)phenyl]furan-2-yl]methyl]piperazine
CID 141351583
(2S)-2-amino-2-[4-(trifluoromethoxy)phenyl]ethanol;hydrochloride
CID 86712019
ethyl 2-[4-[4-(trifluoromethoxy)phenyl]phenyl]acetate
CID 170432744
2-bromo-3-[4-(trifluoromethoxy)phenyl]propanamide
CID 104512947

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-[5-[4-(trifluoromethoxy)phenyl]furan-2-yl]propanamide?
The IUPAC name of 3-amino-3-[5-[4-(trifluoromethoxy)phenyl]furan-2-yl]propanamide (CID 170876267) is 3-amino-3-[5-[4-(trifluoromethoxy)phenyl]furan-2-yl]propanamide.
What is the SMILES notation for 3-amino-3-[5-[4-(trifluoromethoxy)phenyl]furan-2-yl]propanamide?
The canonical SMILES for 3-amino-3-[5-[4-(trifluoromethoxy)phenyl]furan-2-yl]propanamide is NC(=O)CC(N)c1ccc(-c2ccc(OC(F)(F)F)cc2)o1.
What is the InChIKey of 3-amino-3-[5-[4-(trifluoromethoxy)phenyl]furan-2-yl]propanamide?
The InChIKey is DOQJYJFGDMWEMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2O3/c15-14(16,17)22-9-3-1-8(2-4-9)11-5-6-12(21-11)10(18)7-13(19)20/h1-6,10H,7,18H2,(H2,19,20).
What are the key properties of 3-amino-3-[5-[4-(trifluoromethoxy)phenyl]furan-2-yl]propanamide?
3-amino-3-[5-[4-(trifluoromethoxy)phenyl]furan-2-yl]propanamide has a molecular weight of 314.26 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-[5-[4-(trifluoromethoxy)phenyl]furan-2-yl]propanamide is sourced from PubChem (CID 170876267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).