(E)-N-dibenzofuran-2-yl-3-(4-fluorophenyl)prop-2-enamide

C21H14FNO2 — CID 16552380

IUPAC(E)-N-dibenzofuran-2-yl-3-(4-fluorophenyl)prop-2-enamide
SMILESO=C(/C=C/c1ccc(F)cc1)Nc1ccc2oc3ccccc3c2c1
InChIInChI=1S/C21H14FNO2/c22-15-8-5-14(6-9-15)7-12-21(24)23-16-10-11-20-18(13-16)17-3-1-2-4-19(17)25-20/h1-13H,(H,23,24)/b12-7+
InChIKeySFZTVBZHLDTKOA-KPKJPENVSA-N
MW331.35 g/mol
LogP5.38
Rot. Bonds3

About (E)-N-dibenzofuran-2-yl-3-(4-fluorophenyl)prop-2-enamide

(E)-N-dibenzofuran-2-yl-3-(4-fluorophenyl)prop-2-enamide (PubChem CID 16552380) has the molecular formula C21H14FNO2 and a molecular weight of 331.35 g/mol. Its IUPAC name is (E)-N-dibenzofuran-2-yl-3-(4-fluorophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-dibenzofuran-2-yl-3-(4-fluorophenyl)prop-2-enamide
PubChem CID16552380
Molecular FormulaC21H14FNO2
Molecular Weight331.35 g/mol
Exact Mass331.10
IUPAC Name(E)-N-dibenzofuran-2-yl-3-(4-fluorophenyl)prop-2-enamide
SMILESO=C(/C=C/c1ccc(F)cc1)Nc1ccc2oc3ccccc3c2c1
InChIInChI=1S/C21H14FNO2/c22-15-8-5-14(6-9-15)7-12-21(24)23-16-10-11-20-18(13-16)17-3-1-2-4-19(17)25-20/h1-13H,(H,23,24)/b12-7+
InChIKeySFZTVBZHLDTKOA-KPKJPENVSA-N
XLogP5.38
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.35
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-N-dibenzofuran-2-yl-3-(4-fluorophenyl)prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3,4-difluorophenyl)-3-(4-fluorophenyl)prop-2-enamide
CID 4695232
(E)-N-(9-ethylcarbazol-3-yl)-3-(4-fluorophenyl)prop-2-enamide
CID 17164828
(E)-N-(3-acetamidophenyl)-3-(4-fluorophenyl)prop-2-enamide
CID 2671059
N-dibenzofuran-2-yl-2,2,2-trifluoroacetamide
CID 5196274
(E)-3-(4-fluorophenyl)-N-[3-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]-4-phenyldiazenylphenyl]prop-2-enamide
CID 6269441
3-(4-chlorophenyl)-N-(dibenzofuran-3-ylcarbamothioyl)prop-2-enamide
CID 4511402
N-(3-fluorophenyl)-3-[[(E)-3-phenylprop-2-enoyl]amino]-1-benzofuran-2-carboxamide
CID 93153212
N-[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]-3-(4-methylphenyl)prop-2-enamide
CID 3445612
N-(3,4-difluorophenyl)-3-(3-phenylprop-2-enoylamino)-1-benzofuran-2-carboxamide
CID 71962835
(E)-N-(1,3-dioxoisoindol-5-yl)-3-(4-fluorophenyl)prop-2-enamide
CID 17172115
(E)-N-(3-amino-4-chlorophenyl)-3-(4-fluorophenyl)prop-2-enamide
CID 28867683
(E)-3-(4-fluorophenyl)-N-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]prop-2-enamide
CID 108933380

Frequently Asked Questions

What is the IUPAC name of (E)-N-dibenzofuran-2-yl-3-(4-fluorophenyl)prop-2-enamide?
The IUPAC name of (E)-N-dibenzofuran-2-yl-3-(4-fluorophenyl)prop-2-enamide (CID 16552380) is (E)-N-dibenzofuran-2-yl-3-(4-fluorophenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-dibenzofuran-2-yl-3-(4-fluorophenyl)prop-2-enamide?
The canonical SMILES for (E)-N-dibenzofuran-2-yl-3-(4-fluorophenyl)prop-2-enamide is O=C(/C=C/c1ccc(F)cc1)Nc1ccc2oc3ccccc3c2c1.
What is the InChIKey of (E)-N-dibenzofuran-2-yl-3-(4-fluorophenyl)prop-2-enamide?
The InChIKey is SFZTVBZHLDTKOA-KPKJPENVSA-N. The full InChI is InChI=1S/C21H14FNO2/c22-15-8-5-14(6-9-15)7-12-21(24)23-16-10-11-20-18(13-16)17-3-1-2-4-19(17)25-20/h1-13H,(H,23,24)/b12-7+.
What are the key properties of (E)-N-dibenzofuran-2-yl-3-(4-fluorophenyl)prop-2-enamide?
(E)-N-dibenzofuran-2-yl-3-(4-fluorophenyl)prop-2-enamide has a molecular weight of 331.35 g/mol, XLogP of 5.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-dibenzofuran-2-yl-3-(4-fluorophenyl)prop-2-enamide is sourced from PubChem (CID 16552380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).