(E)-N-(2-fluorophenyl)-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enamide

C19H13FN2O4 — CID 45051358

IUPAC(E)-N-(2-fluorophenyl)-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enamide
SMILESO=C(/C=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1)Nc1ccccc1F
InChIInChI=1S/C19H13FN2O4/c20-16-6-1-2-7-17(16)21-19(23)11-9-15-8-10-18(26-15)13-4-3-5-14(12-13)22(24)25/h1-12H,(H,21,23)/b11-9+
InChIKeyXRHRIZZPLXMHIK-PKNBQFBNSA-N
MW352.32 g/mol
LogP4.65
Rot. Bonds5

About (E)-N-(2-fluorophenyl)-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enamide

(E)-N-(2-fluorophenyl)-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enamide (PubChem CID 45051358) has the molecular formula C19H13FN2O4 and a molecular weight of 352.32 g/mol. Its IUPAC name is (E)-N-(2-fluorophenyl)-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-fluorophenyl)-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enamide
PubChem CID45051358
Molecular FormulaC19H13FN2O4
Molecular Weight352.32 g/mol
Exact Mass352.09
IUPAC Name(E)-N-(2-fluorophenyl)-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enamide
SMILESO=C(/C=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1)Nc1ccccc1F
InChIInChI=1S/C19H13FN2O4/c20-16-6-1-2-7-17(16)21-19(23)11-9-15-8-10-18(26-15)13-4-3-5-14(12-13)22(24)25/h1-12H,(H,21,23)/b11-9+
InChIKeyXRHRIZZPLXMHIK-PKNBQFBNSA-N
XLogP4.65
TPSA85.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.32
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[5-(3-nitrophenyl)furan-2-yl]-N-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 4697669
N-(2-fluorophenyl)-5-(3-nitrophenyl)furan-2-carboxamide
CID 940584
3-[5-(3-chloro-4-methylphenyl)furan-2-yl]-N-(2-fluorophenyl)prop-2-enamide
CID 3913972
(E)-N-(2-methylphenyl)-3-[5-(4-nitrophenyl)furan-2-yl]prop-2-enamide
CID 800692
(E)-N-(2-chloro-5-nitrophenyl)-3-[5-(3,5-dichlorophenyl)furan-2-yl]prop-2-enamide
CID 22780766
1-(3-nitrophenyl)-3-(5-phenylfuran-2-yl)prop-2-en-1-one
CID 4213357
3-[5-(4-chlorophenyl)furan-2-yl]-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enamide
CID 3909497
ethyl (E)-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enoate
CID 6270175
3-(2,6-difluorophenyl)-N-(2-fluoro-5-nitrophenyl)prop-2-enamide
CID 76865698
3-[5-(4-chlorophenyl)furan-2-yl]-N-(2-methoxy-5-nitrophenyl)prop-2-enamide
CID 3530863
N-(2-fluoro-5-nitrophenyl)-3-(3-nitrophenyl)prop-2-enamide
CID 4632907
(E)-N-(2,4-difluorophenyl)-3-(5-nitrofuran-2-yl)prop-2-enamide
CID 7039893

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-fluorophenyl)-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enamide?
The IUPAC name of (E)-N-(2-fluorophenyl)-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enamide (CID 45051358) is (E)-N-(2-fluorophenyl)-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enamide.
What is the SMILES notation for (E)-N-(2-fluorophenyl)-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enamide?
The canonical SMILES for (E)-N-(2-fluorophenyl)-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enamide is O=C(/C=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1)Nc1ccccc1F.
What is the InChIKey of (E)-N-(2-fluorophenyl)-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enamide?
The InChIKey is XRHRIZZPLXMHIK-PKNBQFBNSA-N. The full InChI is InChI=1S/C19H13FN2O4/c20-16-6-1-2-7-17(16)21-19(23)11-9-15-8-10-18(26-15)13-4-3-5-14(12-13)22(24)25/h1-12H,(H,21,23)/b11-9+.
What are the key properties of (E)-N-(2-fluorophenyl)-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enamide?
(E)-N-(2-fluorophenyl)-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enamide has a molecular weight of 352.32 g/mol, XLogP of 4.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-fluorophenyl)-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enamide is sourced from PubChem (CID 45051358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).