N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]furan-3-carboxamide

C14H12F3NO2 — CID 37354271

IUPACN-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]furan-3-carboxamide
SMILESC[C@@H](NC(=O)c1ccoc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H12F3NO2/c1-9(18-13(19)11-6-7-20-8-11)10-2-4-12(5-3-10)14(15,16)17/h2-9H,1H3,(H,18,19)/t9-/m1/s1
InChIKeyNGOYMBJNMUKVMU-SECBINFHSA-N
MW283.25 g/mol
LogP3.79
Rot. Bonds3

About N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]furan-3-carboxamide

N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]furan-3-carboxamide (PubChem CID 37354271) has the molecular formula C14H12F3NO2 and a molecular weight of 283.25 g/mol. Its IUPAC name is N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]furan-3-carboxamide
PubChem CID37354271
Molecular FormulaC14H12F3NO2
Molecular Weight283.25 g/mol
Exact Mass283.08
IUPAC NameN-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]furan-3-carboxamide
SMILESC[C@@H](NC(=O)c1ccoc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H12F3NO2/c1-9(18-13(19)11-6-7-20-8-11)10-2-4-12(5-3-10)14(15,16)17/h2-9H,1H3,(H,18,19)/t9-/m1/s1
InChIKeyNGOYMBJNMUKVMU-SECBINFHSA-N
XLogP3.79
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.25
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-oxo-3-[1-[4-(trifluoromethyl)phenyl]ethylamino]propyl]furan-3-carboxamide
CID 46431327
N-[1-(4-ethylphenyl)ethyl]furan-3-carboxamide
CID 51265005
N-[(1S)-1-[4-(difluoromethoxy)phenyl]ethyl]furan-3-carboxamide
CID 39991415
N-[1-[4-(aminomethyl)phenyl]ethyl]furan-3-carboxamide
CID 54936164
N-[1-(3,4-difluorophenyl)ethyl]furan-3-carboxamide
CID 51265265
3-amino-N-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]pyrazine-2-carboxamide
CID 37354088
2,4,5-trimethyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]furan-3-carboxamide
CID 46599636
N-[1-(3-chlorophenyl)ethyl]furan-3-carboxamide
CID 51264786
3-(dimethylamino)-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]benzamide
CID 37354866
2-fluoro-N-[1-[4-(trifluoromethyl)phenyl]ethyl]benzamide
CID 42955470
3-(aminomethyl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]benzamide
CID 119044888
N-[1-(3,4-diethoxyphenyl)ethyl]furan-3-carboxamide
CID 46415111

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]furan-3-carboxamide?
The IUPAC name of N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]furan-3-carboxamide (CID 37354271) is N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]furan-3-carboxamide.
What is the SMILES notation for N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]furan-3-carboxamide?
The canonical SMILES for N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]furan-3-carboxamide is C[C@@H](NC(=O)c1ccoc1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]furan-3-carboxamide?
The InChIKey is NGOYMBJNMUKVMU-SECBINFHSA-N. The full InChI is InChI=1S/C14H12F3NO2/c1-9(18-13(19)11-6-7-20-8-11)10-2-4-12(5-3-10)14(15,16)17/h2-9H,1H3,(H,18,19)/t9-/m1/s1.
What are the key properties of N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]furan-3-carboxamide?
N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]furan-3-carboxamide has a molecular weight of 283.25 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]furan-3-carboxamide is sourced from PubChem (CID 37354271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).