N-[3-[3-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]prop-2-enoyl]phenyl]benzamide

C27H18F3NO3 — CID 4736164

IUPACN-[3-[3-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]prop-2-enoyl]phenyl]benzamide
SMILESO=C(C=Cc1ccc(-c2cccc(C(F)(F)F)c2)o1)c1cccc(NC(=O)c2ccccc2)c1
InChIInChI=1S/C27H18F3NO3/c28-27(29,30)21-10-4-9-20(16-21)25-15-13-23(34-25)12-14-24(32)19-8-5-11-22(17-19)31-26(33)18-6-2-1-3-7-18/h1-17H,(H,31,33)
InChIKeyNPFXADURPBQVRD-UHFFFAOYSA-N
MW461.44 g/mol
LogP7.11
Rot. Bonds6

About N-[3-[3-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]prop-2-enoyl]phenyl]benzamide

N-[3-[3-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]prop-2-enoyl]phenyl]benzamide (PubChem CID 4736164) has the molecular formula C27H18F3NO3 and a molecular weight of 461.44 g/mol. Its IUPAC name is N-[3-[3-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]prop-2-enoyl]phenyl]benzamide.

Molecular Properties

Compound NameN-[3-[3-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]prop-2-enoyl]phenyl]benzamide
PubChem CID4736164
Molecular FormulaC27H18F3NO3
Molecular Weight461.44 g/mol
Exact Mass461.12
IUPAC NameN-[3-[3-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]prop-2-enoyl]phenyl]benzamide
SMILESO=C(C=Cc1ccc(-c2cccc(C(F)(F)F)c2)o1)c1cccc(NC(=O)c2ccccc2)c1
InChIInChI=1S/C27H18F3NO3/c28-27(29,30)21-10-4-9-20(16-21)25-15-13-23(34-25)12-14-24(32)19-8-5-11-22(17-19)31-26(33)18-6-2-1-3-7-18/h1-17H,(H,31,33)
InChIKeyNPFXADURPBQVRD-UHFFFAOYSA-N
XLogP7.11
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.44
LogP ≤ 57.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

ethyl 4-[5-[3-(3-benzamidophenyl)-3-oxoprop-1-enyl]furan-2-yl]benzoate
CID 4736135
N-[4-[3-[5-(3-chlorophenyl)furan-2-yl]prop-2-enoyl]phenyl]benzamide
CID 4736275
(E)-1-(4-ethylphenyl)-3-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]prop-2-en-1-one
CID 6287121
3-[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]-1-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]prop-2-en-1-one
CID 3444003
2-hydroxy-3-methyl-5-[[(E)-3-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]prop-2-enoyl]amino]benzoic acid
CID 28686510
N-[3-[(E)-3-[5-(3,5-dichlorophenyl)furan-2-yl]prop-2-enoyl]phenyl]thiophene-2-carboxamide
CID 18830570
N-[3-[3-(3-benzamidophenyl)-3-oxoprop-1-enyl]phenyl]benzamide
CID 2832490
N-[3-[3-[5-(4-nitrophenyl)furan-2-yl]prop-2-enoyl]phenyl]furan-2-carboxamide
CID 4736046
1-(3-nitrophenyl)-3-(5-phenylfuran-2-yl)prop-2-en-1-one
CID 4213357
N-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]benzamide
CID 130471222
1-[5-(2,3-dichlorophenyl)furan-2-yl]-3-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]prop-2-en-1-one
CID 3444153
N-[3-[(E)-3-[5-(3,5-dichlorophenyl)furan-2-yl]prop-2-enoyl]phenyl]-2-methylfuran-3-carboxamide
CID 18830572

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]prop-2-enoyl]phenyl]benzamide?
The IUPAC name of N-[3-[3-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]prop-2-enoyl]phenyl]benzamide (CID 4736164) is N-[3-[3-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]prop-2-enoyl]phenyl]benzamide.
What is the SMILES notation for N-[3-[3-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]prop-2-enoyl]phenyl]benzamide?
The canonical SMILES for N-[3-[3-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]prop-2-enoyl]phenyl]benzamide is O=C(C=Cc1ccc(-c2cccc(C(F)(F)F)c2)o1)c1cccc(NC(=O)c2ccccc2)c1.
What is the InChIKey of N-[3-[3-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]prop-2-enoyl]phenyl]benzamide?
The InChIKey is NPFXADURPBQVRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18F3NO3/c28-27(29,30)21-10-4-9-20(16-21)25-15-13-23(34-25)12-14-24(32)19-8-5-11-22(17-19)31-26(33)18-6-2-1-3-7-18/h1-17H,(H,31,33).
What are the key properties of N-[3-[3-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]prop-2-enoyl]phenyl]benzamide?
N-[3-[3-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]prop-2-enoyl]phenyl]benzamide has a molecular weight of 461.44 g/mol, XLogP of 7.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]prop-2-enoyl]phenyl]benzamide is sourced from PubChem (CID 4736164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).