(2E,4E)-N-(4-fluoro-3-nitrophenyl)hexa-2,4-dienamide

C12H11FN2O3 — CID 26696924

IUPAC(2E,4E)-N-(4-fluoro-3-nitrophenyl)hexa-2,4-dienamide
SMILESC/C=C/C=C/C(=O)Nc1ccc(F)c([N+](=O)[O-])c1
InChIInChI=1S/C12H11FN2O3/c1-2-3-4-5-12(16)14-9-6-7-10(13)11(8-9)15(17)18/h2-8H,1H3,(H,14,16)/b3-2+,5-4+
InChIKeyLPYJAZFNZWHWEK-MQQKCMAXSA-N
MW250.23 g/mol
LogP2.80
Rot. Bonds4

About (2E,4E)-N-(4-fluoro-3-nitrophenyl)hexa-2,4-dienamide

(2E,4E)-N-(4-fluoro-3-nitrophenyl)hexa-2,4-dienamide (PubChem CID 26696924) has the molecular formula C12H11FN2O3 and a molecular weight of 250.23 g/mol. Its IUPAC name is (2E,4E)-N-(4-fluoro-3-nitrophenyl)hexa-2,4-dienamide.

Molecular Properties

Compound Name(2E,4E)-N-(4-fluoro-3-nitrophenyl)hexa-2,4-dienamide
PubChem CID26696924
Molecular FormulaC12H11FN2O3
Molecular Weight250.23 g/mol
Exact Mass250.08
IUPAC Name(2E,4E)-N-(4-fluoro-3-nitrophenyl)hexa-2,4-dienamide
SMILESC/C=C/C=C/C(=O)Nc1ccc(F)c([N+](=O)[O-])c1
InChIInChI=1S/C12H11FN2O3/c1-2-3-4-5-12(16)14-9-6-7-10(13)11(8-9)15(17)18/h2-8H,1H3,(H,14,16)/b3-2+,5-4+
InChIKeyLPYJAZFNZWHWEK-MQQKCMAXSA-N
XLogP2.80
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.23
LogP ≤ 52.80
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

N-(4-fluoro-3-nitrophenyl)prop-2-enamide
CID 43422996
N-(4-fluoro-3-nitrophenyl)-3-(4-fluorophenyl)prop-2-enamide
CID 874270
(E)-3-(4-tert-butylphenyl)-N-(4-fluoro-3-nitrophenyl)prop-2-enamide
CID 844305
(4-fluoro-3-nitrophenyl)carbamic acid
CID 22238368
N-(4-bromo-3-fluorophenyl)hexa-2,4-dienamide
CID 77069173
3-(3-chlorophenyl)-N-(4-fluoro-3-nitrophenyl)prop-2-enamide
CID 896227
N-(4-chloro-3-nitrophenyl)but-2-enamide
CID 78909412
N,N'-bis(4-fluoro-3-nitrophenyl)pentanediamide
CID 4303961
(E)-N-(4-fluoro-3-nitrophenyl)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide
CID 9207805
4-fluoro-3-nitroaniline;N-(4-fluoro-3-nitrophenyl)acetamide
CID 158096795
(2S)-2-amino-N-(4-fluoro-3-nitrophenyl)propanamide
CID 61145688
(2E,4E)-N-(2-nitrophenyl)hexa-2,4-dienamide
CID 11436192

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-N-(4-fluoro-3-nitrophenyl)hexa-2,4-dienamide?
The IUPAC name of (2E,4E)-N-(4-fluoro-3-nitrophenyl)hexa-2,4-dienamide (CID 26696924) is (2E,4E)-N-(4-fluoro-3-nitrophenyl)hexa-2,4-dienamide.
What is the SMILES notation for (2E,4E)-N-(4-fluoro-3-nitrophenyl)hexa-2,4-dienamide?
The canonical SMILES for (2E,4E)-N-(4-fluoro-3-nitrophenyl)hexa-2,4-dienamide is C/C=C/C=C/C(=O)Nc1ccc(F)c([N+](=O)[O-])c1.
What is the InChIKey of (2E,4E)-N-(4-fluoro-3-nitrophenyl)hexa-2,4-dienamide?
The InChIKey is LPYJAZFNZWHWEK-MQQKCMAXSA-N. The full InChI is InChI=1S/C12H11FN2O3/c1-2-3-4-5-12(16)14-9-6-7-10(13)11(8-9)15(17)18/h2-8H,1H3,(H,14,16)/b3-2+,5-4+.
What are the key properties of (2E,4E)-N-(4-fluoro-3-nitrophenyl)hexa-2,4-dienamide?
(2E,4E)-N-(4-fluoro-3-nitrophenyl)hexa-2,4-dienamide has a molecular weight of 250.23 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-N-(4-fluoro-3-nitrophenyl)hexa-2,4-dienamide is sourced from PubChem (CID 26696924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).