N-[(4R)-5-oxo-2-phenyl-1-prop-2-enyl-4-(trifluoromethyl)imidazol-4-yl]furan-2-carboxamide

C18H14F3N3O3 — CID 51542640

IUPACN-[(4R)-5-oxo-2-phenyl-1-prop-2-enyl-4-(trifluoromethyl)imidazol-4-yl]furan-2-carboxamide
SMILESC=CCN1C(=O)[C@](NC(=O)c2ccco2)(C(F)(F)F)N=C1c1ccccc1
InChIInChI=1S/C18H14F3N3O3/c1-2-10-24-14(12-7-4-3-5-8-12)22-17(16(24)26,18(19,20)21)23-15(25)13-9-6-11-27-13/h2-9,11H,1,10H2,(H,23,25)/t17-/m0/s1
InChIKeyCCWXOKKZTWXVQE-KRWDZBQOSA-N
MW377.32 g/mol
LogP2.74
Rot. Bonds5

About N-[(4R)-5-oxo-2-phenyl-1-prop-2-enyl-4-(trifluoromethyl)imidazol-4-yl]furan-2-carboxamide

N-[(4R)-5-oxo-2-phenyl-1-prop-2-enyl-4-(trifluoromethyl)imidazol-4-yl]furan-2-carboxamide (PubChem CID 51542640) has the molecular formula C18H14F3N3O3 and a molecular weight of 377.32 g/mol. Its IUPAC name is N-[(4R)-5-oxo-2-phenyl-1-prop-2-enyl-4-(trifluoromethyl)imidazol-4-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(4R)-5-oxo-2-phenyl-1-prop-2-enyl-4-(trifluoromethyl)imidazol-4-yl]furan-2-carboxamide
PubChem CID51542640
Molecular FormulaC18H14F3N3O3
Molecular Weight377.32 g/mol
Exact Mass377.10
IUPAC NameN-[(4R)-5-oxo-2-phenyl-1-prop-2-enyl-4-(trifluoromethyl)imidazol-4-yl]furan-2-carboxamide
SMILESC=CCN1C(=O)[C@](NC(=O)c2ccco2)(C(F)(F)F)N=C1c1ccccc1
InChIInChI=1S/C18H14F3N3O3/c1-2-10-24-14(12-7-4-3-5-8-12)22-17(16(24)26,18(19,20)21)23-15(25)13-9-6-11-27-13/h2-9,11H,1,10H2,(H,23,25)/t17-/m0/s1
InChIKeyCCWXOKKZTWXVQE-KRWDZBQOSA-N
XLogP2.74
TPSA74.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.32
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[5-oxo-2-phenyl-1-prop-2-enyl-4-(trifluoromethyl)imidazol-4-yl]pyridine-3-carboxamide
CID 16762672
N-[(4R)-5-oxo-2-phenyl-1-prop-2-enyl-4-(trifluoromethyl)imidazol-4-yl]propanamide
CID 29057100
3-methyl-N-[(4S)-5-oxo-2-phenyl-1-prop-2-enyl-4-(trifluoromethyl)imidazol-4-yl]benzamide
CID 51508105
3-methyl-N-[(4R)-5-oxo-2-phenyl-1-prop-2-enyl-4-(trifluoromethyl)imidazol-4-yl]benzamide
CID 51508104
3-methoxy-N-[(4S)-5-oxo-2-phenyl-1-prop-2-enyl-4-(trifluoromethyl)imidazol-4-yl]benzamide
CID 29105150
2-chloro-N-[(4R)-1-(furan-2-ylmethyl)-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]benzamide
CID 29098751
2-chloro-N-[(4S)-1-(furan-2-ylmethyl)-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]benzamide
CID 51525464
N-[(4R)-5-oxo-2-phenyl-1-prop-2-enyl-4-(trifluoromethyl)imidazol-4-yl]benzenesulfonamide
CID 29098729
3-methyl-N-[(4S)-5-oxo-2-phenyl-1-(2-phenylethyl)-4-(trifluoromethyl)imidazol-4-yl]benzamide
CID 28922592
4-chloro-N-[5-oxo-2-phenyl-1-propyl-4-(trifluoromethyl)imidazol-4-yl]benzamide
CID 17344357
(5R)-5-[(3-methyl-2-pyridinyl)amino]-2-phenyl-3-prop-2-enyl-5-(trifluoromethyl)imidazol-4-one
CID 29111342
N-[1-benzyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]-2-methylpropanamide
CID 17344368

Frequently Asked Questions

What is the IUPAC name of N-[(4R)-5-oxo-2-phenyl-1-prop-2-enyl-4-(trifluoromethyl)imidazol-4-yl]furan-2-carboxamide?
The IUPAC name of N-[(4R)-5-oxo-2-phenyl-1-prop-2-enyl-4-(trifluoromethyl)imidazol-4-yl]furan-2-carboxamide (CID 51542640) is N-[(4R)-5-oxo-2-phenyl-1-prop-2-enyl-4-(trifluoromethyl)imidazol-4-yl]furan-2-carboxamide.
What is the SMILES notation for N-[(4R)-5-oxo-2-phenyl-1-prop-2-enyl-4-(trifluoromethyl)imidazol-4-yl]furan-2-carboxamide?
The canonical SMILES for N-[(4R)-5-oxo-2-phenyl-1-prop-2-enyl-4-(trifluoromethyl)imidazol-4-yl]furan-2-carboxamide is C=CCN1C(=O)[C@](NC(=O)c2ccco2)(C(F)(F)F)N=C1c1ccccc1.
What is the InChIKey of N-[(4R)-5-oxo-2-phenyl-1-prop-2-enyl-4-(trifluoromethyl)imidazol-4-yl]furan-2-carboxamide?
The InChIKey is CCWXOKKZTWXVQE-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H14F3N3O3/c1-2-10-24-14(12-7-4-3-5-8-12)22-17(16(24)26,18(19,20)21)23-15(25)13-9-6-11-27-13/h2-9,11H,1,10H2,(H,23,25)/t17-/m0/s1.
What are the key properties of N-[(4R)-5-oxo-2-phenyl-1-prop-2-enyl-4-(trifluoromethyl)imidazol-4-yl]furan-2-carboxamide?
N-[(4R)-5-oxo-2-phenyl-1-prop-2-enyl-4-(trifluoromethyl)imidazol-4-yl]furan-2-carboxamide has a molecular weight of 377.32 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4R)-5-oxo-2-phenyl-1-prop-2-enyl-4-(trifluoromethyl)imidazol-4-yl]furan-2-carboxamide is sourced from PubChem (CID 51542640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).