(E)-N-(2-fluoro-4-iodophenyl)-3-(4-nitrophenyl)prop-2-enamide

C15H10FIN2O3 — CID 84550562

IUPAC(E)-N-(2-fluoro-4-iodophenyl)-3-(4-nitrophenyl)prop-2-enamide
SMILESO=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccc(I)cc1F
InChIInChI=1S/C15H10FIN2O3/c16-13-9-11(17)4-7-14(13)18-15(20)8-3-10-1-5-12(6-2-10)19(21)22/h1-9H,(H,18,20)/b8-3+
InChIKeyQGLSDQIVWVTTBZ-FPYGCLRLSA-N
MW412.16 g/mol
LogP3.99
Rot. Bonds4

About (E)-N-(2-fluoro-4-iodophenyl)-3-(4-nitrophenyl)prop-2-enamide

(E)-N-(2-fluoro-4-iodophenyl)-3-(4-nitrophenyl)prop-2-enamide (PubChem CID 84550562) has the molecular formula C15H10FIN2O3 and a molecular weight of 412.16 g/mol. Its IUPAC name is (E)-N-(2-fluoro-4-iodophenyl)-3-(4-nitrophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-fluoro-4-iodophenyl)-3-(4-nitrophenyl)prop-2-enamide
PubChem CID84550562
Molecular FormulaC15H10FIN2O3
Molecular Weight412.16 g/mol
Exact Mass411.97
IUPAC Name(E)-N-(2-fluoro-4-iodophenyl)-3-(4-nitrophenyl)prop-2-enamide
SMILESO=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccc(I)cc1F
InChIInChI=1S/C15H10FIN2O3/c16-13-9-11(17)4-7-14(13)18-15(20)8-3-10-1-5-12(6-2-10)19(21)22/h1-9H,(H,18,20)/b8-3+
InChIKeyQGLSDQIVWVTTBZ-FPYGCLRLSA-N
XLogP3.99
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.16
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

N-(2-iodophenyl)-3-(4-nitrophenyl)prop-2-enamide
CID 4591037
(E)-N-(4-chloro-2-nitrophenyl)-3-(4-nitrophenyl)prop-2-enamide
CID 84550557
3-(4-nitrophenyl)-N-[3-[3-(4-nitrophenyl)prop-2-enoylamino]naphthalen-2-yl]prop-2-enamide
CID 3974611
N-(2-methyl-5-nitrophenyl)-3-(4-nitrophenyl)prop-2-enamide
CID 5053841
(E)-N,3-bis(4-nitrophenyl)prop-2-enamide
CID 6147286
(E)-3-(4-fluorophenyl)-N-(2-hydroxy-5-nitrophenyl)prop-2-enamide
CID 17342492
3-(4-fluorophenyl)-N-(4-nitrophenyl)prop-2-enamide
CID 5235335
4-chloro-2-[3-(4-nitrophenyl)prop-2-enoylamino]benzoic acid
CID 54421406
N-(2-fluoro-5-nitrophenyl)-3-(3-nitrophenyl)prop-2-enamide
CID 4632907
(E)-N-[(2-fluorophenyl)carbamothioyl]-3-(4-nitrophenyl)prop-2-enamide
CID 17187202
N-[2-fluoro-4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]-3-(4-fluorophenyl)prop-2-enamide
CID 68867137
4-hydroxy-3-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]benzoic acid
CID 108730194

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-fluoro-4-iodophenyl)-3-(4-nitrophenyl)prop-2-enamide?
The IUPAC name of (E)-N-(2-fluoro-4-iodophenyl)-3-(4-nitrophenyl)prop-2-enamide (CID 84550562) is (E)-N-(2-fluoro-4-iodophenyl)-3-(4-nitrophenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(2-fluoro-4-iodophenyl)-3-(4-nitrophenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(2-fluoro-4-iodophenyl)-3-(4-nitrophenyl)prop-2-enamide is O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccc(I)cc1F.
What is the InChIKey of (E)-N-(2-fluoro-4-iodophenyl)-3-(4-nitrophenyl)prop-2-enamide?
The InChIKey is QGLSDQIVWVTTBZ-FPYGCLRLSA-N. The full InChI is InChI=1S/C15H10FIN2O3/c16-13-9-11(17)4-7-14(13)18-15(20)8-3-10-1-5-12(6-2-10)19(21)22/h1-9H,(H,18,20)/b8-3+.
What are the key properties of (E)-N-(2-fluoro-4-iodophenyl)-3-(4-nitrophenyl)prop-2-enamide?
(E)-N-(2-fluoro-4-iodophenyl)-3-(4-nitrophenyl)prop-2-enamide has a molecular weight of 412.16 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-fluoro-4-iodophenyl)-3-(4-nitrophenyl)prop-2-enamide is sourced from PubChem (CID 84550562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).