(Z)-N-(4-fluorophenyl)-3-(3-nitrophenyl)prop-2-enamide

C15H11FN2O3 — CID 2165621

IUPAC(Z)-N-(4-fluorophenyl)-3-(3-nitrophenyl)prop-2-enamide
SMILESO=C(/C=C\c1cccc([N+](=O)[O-])c1)Nc1ccc(F)cc1
InChIInChI=1S/C15H11FN2O3/c16-12-5-7-13(8-6-12)17-15(19)9-4-11-2-1-3-14(10-11)18(20)21/h1-10H,(H,17,19)/b9-4-
InChIKeyZRAHJSNRTQCTBP-WTKPLQERSA-N
MW286.26 g/mol
LogP3.39
Rot. Bonds4

About (Z)-N-(4-fluorophenyl)-3-(3-nitrophenyl)prop-2-enamide

(Z)-N-(4-fluorophenyl)-3-(3-nitrophenyl)prop-2-enamide (PubChem CID 2165621) has the molecular formula C15H11FN2O3 and a molecular weight of 286.26 g/mol. Its IUPAC name is (Z)-N-(4-fluorophenyl)-3-(3-nitrophenyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-N-(4-fluorophenyl)-3-(3-nitrophenyl)prop-2-enamide
PubChem CID2165621
Molecular FormulaC15H11FN2O3
Molecular Weight286.26 g/mol
Exact Mass286.08
IUPAC Name(Z)-N-(4-fluorophenyl)-3-(3-nitrophenyl)prop-2-enamide
SMILESO=C(/C=C\c1cccc([N+](=O)[O-])c1)Nc1ccc(F)cc1
InChIInChI=1S/C15H11FN2O3/c16-12-5-7-13(8-6-12)17-15(19)9-4-11-2-1-3-14(10-11)18(20)21/h1-10H,(H,17,19)/b9-4-
InChIKeyZRAHJSNRTQCTBP-WTKPLQERSA-N
XLogP3.39
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.26
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

(E)-3-(3-nitrophenyl)-N-(4-nitrophenyl)prop-2-enamide
CID 5374478
N-(4-chlorophenyl)-3-(3-nitrophenyl)prop-2-enamide
CID 692314
(E)-3-(3-nitrophenyl)-N-[4-(phenylcarbamoylamino)phenyl]prop-2-enamide
CID 18284824
(E)-N-(4-anilinophenyl)-3-(3-nitrophenyl)prop-2-enamide
CID 6266202
3-(4-fluorophenyl)-N-(4-nitrophenyl)prop-2-enamide
CID 5235335
N-(2-fluoro-5-nitrophenyl)-3-(3-nitrophenyl)prop-2-enamide
CID 4632907
(E)-N-[4-(difluoromethoxy)phenyl]-3-(3-nitrophenyl)prop-2-enamide
CID 7719725
(E)-N-(2,6-difluorophenyl)-3-(3-nitrophenyl)prop-2-enamide
CID 51158974
3-(3-nitrophenyl)-N-(4-phenyldiazenylphenyl)prop-2-enamide
CID 5200736
N-[4-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]phenyl]butanamide
CID 17202592
(E)-3-(3-nitrophenyl)-N-[4-(propan-2-ylcarbamoylamino)phenyl]prop-2-enamide
CID 38175952
N-(3-chlorophenyl)-3-(3-nitrophenyl)prop-2-enamide
CID 677889

Frequently Asked Questions

What is the IUPAC name of (Z)-N-(4-fluorophenyl)-3-(3-nitrophenyl)prop-2-enamide?
The IUPAC name of (Z)-N-(4-fluorophenyl)-3-(3-nitrophenyl)prop-2-enamide (CID 2165621) is (Z)-N-(4-fluorophenyl)-3-(3-nitrophenyl)prop-2-enamide.
What is the SMILES notation for (Z)-N-(4-fluorophenyl)-3-(3-nitrophenyl)prop-2-enamide?
The canonical SMILES for (Z)-N-(4-fluorophenyl)-3-(3-nitrophenyl)prop-2-enamide is O=C(/C=C\c1cccc([N+](=O)[O-])c1)Nc1ccc(F)cc1.
What is the InChIKey of (Z)-N-(4-fluorophenyl)-3-(3-nitrophenyl)prop-2-enamide?
The InChIKey is ZRAHJSNRTQCTBP-WTKPLQERSA-N. The full InChI is InChI=1S/C15H11FN2O3/c16-12-5-7-13(8-6-12)17-15(19)9-4-11-2-1-3-14(10-11)18(20)21/h1-10H,(H,17,19)/b9-4-.
What are the key properties of (Z)-N-(4-fluorophenyl)-3-(3-nitrophenyl)prop-2-enamide?
(Z)-N-(4-fluorophenyl)-3-(3-nitrophenyl)prop-2-enamide has a molecular weight of 286.26 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(4-fluorophenyl)-3-(3-nitrophenyl)prop-2-enamide is sourced from PubChem (CID 2165621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).