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

C15H11FN2O3 — CID 5235335

IUPAC3-(4-fluorophenyl)-N-(4-nitrophenyl)prop-2-enamide
SMILESO=C(C=Cc1ccc(F)cc1)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H11FN2O3/c16-12-4-1-11(2-5-12)3-10-15(19)17-13-6-8-14(9-7-13)18(20)21/h1-10H,(H,17,19)
InChIKeyCTRXXMSTIOEFMZ-UHFFFAOYSA-N
MW286.26 g/mol
LogP3.39
Rot. Bonds4

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

3-(4-fluorophenyl)-N-(4-nitrophenyl)prop-2-enamide (PubChem CID 5235335) has the molecular formula C15H11FN2O3 and a molecular weight of 286.26 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-(4-nitrophenyl)prop-2-enamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-(4-nitrophenyl)prop-2-enamide
PubChem CID5235335
Molecular FormulaC15H11FN2O3
Molecular Weight286.26 g/mol
Exact Mass286.08
IUPAC Name3-(4-fluorophenyl)-N-(4-nitrophenyl)prop-2-enamide
SMILESO=C(C=Cc1ccc(F)cc1)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H11FN2O3/c16-12-4-1-11(2-5-12)3-10-15(19)17-13-6-8-14(9-7-13)18(20)21/h1-10H,(H,17,19)
InChIKeyCTRXXMSTIOEFMZ-UHFFFAOYSA-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)-N,3-bis(4-nitrophenyl)prop-2-enamide
CID 6147286
(Z)-N-(4-nitrophenyl)-3-phenylprop-2-enamide
CID 92909984
3-(4-nitrophenyl)-N-[4-[4-[3-(4-nitrophenyl)prop-2-enoylamino]phenoxy]phenyl]prop-2-enamide
CID 5115471
(Z)-N-(4-fluorophenyl)-3-(3-nitrophenyl)prop-2-enamide
CID 2165621
N-[6-(4-fluorophenoxy)-3-pyridinyl]-3-(4-nitrophenyl)prop-2-enamide
CID 55713791
(E)-3-(4-fluorophenyl)-N-[2-(4-nitroanilino)ethyl]prop-2-enamide
CID 9308502
N-(4-fluoro-3-nitrophenyl)-3-(4-fluorophenyl)prop-2-enamide
CID 874270
(E)-3-(4-fluorophenyl)-N-(2-hydroxy-5-nitrophenyl)prop-2-enamide
CID 17342492
(E)-N-(6-bromo-3-pyridinyl)-3-(4-nitrophenyl)prop-2-enamide
CID 103789272
(E)-3-(3-nitrophenyl)-N-(4-nitrophenyl)prop-2-enamide
CID 5374478
(E)-N-[4-[(2R)-butan-2-yl]phenyl]-3-(4-nitrophenyl)prop-2-enamide
CID 40584642
(E)-N-(6-methoxy-3-pyridinyl)-3-(4-nitrophenyl)prop-2-enamide
CID 26515812

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-(4-nitrophenyl)prop-2-enamide?
The IUPAC name of 3-(4-fluorophenyl)-N-(4-nitrophenyl)prop-2-enamide (CID 5235335) is 3-(4-fluorophenyl)-N-(4-nitrophenyl)prop-2-enamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-(4-nitrophenyl)prop-2-enamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-(4-nitrophenyl)prop-2-enamide is O=C(C=Cc1ccc(F)cc1)Nc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 3-(4-fluorophenyl)-N-(4-nitrophenyl)prop-2-enamide?
The InChIKey is CTRXXMSTIOEFMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2O3/c16-12-4-1-11(2-5-12)3-10-15(19)17-13-6-8-14(9-7-13)18(20)21/h1-10H,(H,17,19).
What are the key properties of 3-(4-fluorophenyl)-N-(4-nitrophenyl)prop-2-enamide?
3-(4-fluorophenyl)-N-(4-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 3-(4-fluorophenyl)-N-(4-nitrophenyl)prop-2-enamide is sourced from PubChem (CID 5235335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).