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

C14H12F3NO2 — CID 154324455

IUPAC3-[5-[4-(trifluoromethyl)phenyl]furan-2-yl]propanamide
SMILESNC(=O)CCc1ccc(-c2ccc(C(F)(F)F)cc2)o1
InChIInChI=1S/C14H12F3NO2/c15-14(16,17)10-3-1-9(2-4-10)12-7-5-11(20-12)6-8-13(18)19/h1-5,7H,6,8H2,(H2,18,19)
InChIKeyCRVLSWWWEGUNHA-UHFFFAOYSA-N
MW283.25 g/mol
LogP3.38
Rot. Bonds4

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

3-[5-[4-(trifluoromethyl)phenyl]furan-2-yl]propanamide (PubChem CID 154324455) has the molecular formula C14H12F3NO2 and a molecular weight of 283.25 g/mol. Its IUPAC name is 3-[5-[4-(trifluoromethyl)phenyl]furan-2-yl]propanamide.

Molecular Properties

Compound Name3-[5-[4-(trifluoromethyl)phenyl]furan-2-yl]propanamide
PubChem CID154324455
Molecular FormulaC14H12F3NO2
Molecular Weight283.25 g/mol
Exact Mass283.08
IUPAC Name3-[5-[4-(trifluoromethyl)phenyl]furan-2-yl]propanamide
SMILESNC(=O)CCc1ccc(-c2ccc(C(F)(F)F)cc2)o1
InChIInChI=1S/C14H12F3NO2/c15-14(16,17)10-3-1-9(2-4-10)12-7-5-11(20-12)6-8-13(18)19/h1-5,7H,6,8H2,(H2,18,19)
InChIKeyCRVLSWWWEGUNHA-UHFFFAOYSA-N
XLogP3.38
TPSA56.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.25
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-amino-3-[5-[4-(trifluoromethyl)phenyl]furan-2-yl]propanoate
CID 170884286
(2R)-2-amino-N-ethyl-N-[[5-[4-(trifluoromethyl)phenyl]furan-2-yl]methyl]propanamide;hydrochloride
CID 119301822
5-[4-(trifluoromethyl)phenyl]furan-2-carbothioamide
CID 94280906
6-hydroxy-1-[2-[5-[4-(trifluoromethyl)phenyl]furan-2-yl]ethyl]piperidin-2-one
CID 10760507
5-[4-(trifluoromethyl)phenyl]pentanamide
CID 162568096
2-[2,3,4,5,6-pentakis[5-[4-(trifluoromethyl)phenyl]furan-2-yl]phenyl]-5-[4-(trifluoromethyl)phenyl]furan
CID 71615619
3-[5-(4-bromophenyl)furan-2-yl]propanoic acid
CID 3244890
6-[4-(trifluoromethyl)phenyl]hexanamide
CID 66848410
ethyl 3-[5-[4-(trifluoromethyl)phenyl]furan-2-yl]benzoate
CID 22934575
2-amino-N-ethyl-3-methoxy-N-[[5-[4-(trifluoromethyl)phenyl]furan-2-yl]methyl]propanamide
CID 120987274
4-oxo-4-[4-(trifluoromethyl)phenyl]butanamide
CID 142703913
1-[5-(4-tert-butylphenyl)furan-2-yl]propan-2-one
CID 55180156

Frequently Asked Questions

What is the IUPAC name of 3-[5-[4-(trifluoromethyl)phenyl]furan-2-yl]propanamide?
The IUPAC name of 3-[5-[4-(trifluoromethyl)phenyl]furan-2-yl]propanamide (CID 154324455) is 3-[5-[4-(trifluoromethyl)phenyl]furan-2-yl]propanamide.
What is the SMILES notation for 3-[5-[4-(trifluoromethyl)phenyl]furan-2-yl]propanamide?
The canonical SMILES for 3-[5-[4-(trifluoromethyl)phenyl]furan-2-yl]propanamide is NC(=O)CCc1ccc(-c2ccc(C(F)(F)F)cc2)o1.
What is the InChIKey of 3-[5-[4-(trifluoromethyl)phenyl]furan-2-yl]propanamide?
The InChIKey is CRVLSWWWEGUNHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3NO2/c15-14(16,17)10-3-1-9(2-4-10)12-7-5-11(20-12)6-8-13(18)19/h1-5,7H,6,8H2,(H2,18,19).
What are the key properties of 3-[5-[4-(trifluoromethyl)phenyl]furan-2-yl]propanamide?
3-[5-[4-(trifluoromethyl)phenyl]furan-2-yl]propanamide has a molecular weight of 283.25 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[4-(trifluoromethyl)phenyl]furan-2-yl]propanamide is sourced from PubChem (CID 154324455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).