(Z)-3-(dimethylamino)-1-(2-fluorophenyl)-2-(2-nitrophenyl)prop-2-en-1-one

C17H15FN2O3 — CID 135051647

IUPAC(Z)-3-(dimethylamino)-1-(2-fluorophenyl)-2-(2-nitrophenyl)prop-2-en-1-one
SMILESCN(C)/C=C(\C(=O)c1ccccc1F)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C17H15FN2O3/c1-19(2)11-14(12-7-4-6-10-16(12)20(22)23)17(21)13-8-3-5-9-15(13)18/h3-11H,1-2H3/b14-11-
InChIKeyKATXEECOKPWFJC-KAMYIIQDSA-N
MW314.32 g/mol
LogP3.52
Rot. Bonds5

About (Z)-3-(dimethylamino)-1-(2-fluorophenyl)-2-(2-nitrophenyl)prop-2-en-1-one

(Z)-3-(dimethylamino)-1-(2-fluorophenyl)-2-(2-nitrophenyl)prop-2-en-1-one (PubChem CID 135051647) has the molecular formula C17H15FN2O3 and a molecular weight of 314.32 g/mol. Its IUPAC name is (Z)-3-(dimethylamino)-1-(2-fluorophenyl)-2-(2-nitrophenyl)prop-2-en-1-one.

Molecular Properties

Compound Name(Z)-3-(dimethylamino)-1-(2-fluorophenyl)-2-(2-nitrophenyl)prop-2-en-1-one
PubChem CID135051647
Molecular FormulaC17H15FN2O3
Molecular Weight314.32 g/mol
Exact Mass314.11
IUPAC Name(Z)-3-(dimethylamino)-1-(2-fluorophenyl)-2-(2-nitrophenyl)prop-2-en-1-one
SMILESCN(C)/C=C(\C(=O)c1ccccc1F)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C17H15FN2O3/c1-19(2)11-14(12-7-4-6-10-16(12)20(22)23)17(21)13-8-3-5-9-15(13)18/h3-11H,1-2H3/b14-11-
InChIKeyKATXEECOKPWFJC-KAMYIIQDSA-N
XLogP3.52
TPSA63.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.32
LogP ≤ 53.52
H-Bond Donors ≤ 50
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'}

Analyze (Z)-3-(dimethylamino)-1-(2-fluorophenyl)-2-(2-nitrophenyl)prop-2-en-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(Z)-1-(4-chlorophenyl)-3-(dimethylamino)-2-(2-nitrophenyl)prop-2-en-1-one
CID 19784507
1,2-bis(2-nitrophenyl)ethane-1,2-dione
CID 15851155
1-(2-fluorophenyl)-2-(2-nitrophenyl)ethanone
CID 12909590
N-tert-butyl-N'-(2-fluorobenzoyl)-2-nitrobenzohydrazide;trihydrochloride
CID 70295139
(E)-3-(2-fluorophenyl)-1-(2-nitrophenyl)prop-2-en-1-one
CID 19561003
2-[(Z)-1-(dimethylamino)-3-oxo-4-phenylmethoxybut-1-en-2-yl]-3-nitrobenzoic acid
CID 18355089
benzene;2-nitrobenzoic acid
CID 19891435
N-methoxy-N-methyl-2-nitrobenzamide
CID 4779158
4-(dimethylamino)-1-(2-nitrophenyl)butan-1-one
CID 119085797
ethane;methane;1-(2-nitrophenyl)ethanone
CID 161143607
N-(2,5-dimethyl-4-nitrophenyl)-2-fluorobenzamide
CID 103145312
(E)-2-(2-fluoro-6-nitrophenyl)-N,N-dimethylethenamine
CID 23248110

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(dimethylamino)-1-(2-fluorophenyl)-2-(2-nitrophenyl)prop-2-en-1-one?
The IUPAC name of (Z)-3-(dimethylamino)-1-(2-fluorophenyl)-2-(2-nitrophenyl)prop-2-en-1-one (CID 135051647) is (Z)-3-(dimethylamino)-1-(2-fluorophenyl)-2-(2-nitrophenyl)prop-2-en-1-one.
What is the SMILES notation for (Z)-3-(dimethylamino)-1-(2-fluorophenyl)-2-(2-nitrophenyl)prop-2-en-1-one?
The canonical SMILES for (Z)-3-(dimethylamino)-1-(2-fluorophenyl)-2-(2-nitrophenyl)prop-2-en-1-one is CN(C)/C=C(\C(=O)c1ccccc1F)c1ccccc1[N+](=O)[O-].
What is the InChIKey of (Z)-3-(dimethylamino)-1-(2-fluorophenyl)-2-(2-nitrophenyl)prop-2-en-1-one?
The InChIKey is KATXEECOKPWFJC-KAMYIIQDSA-N. The full InChI is InChI=1S/C17H15FN2O3/c1-19(2)11-14(12-7-4-6-10-16(12)20(22)23)17(21)13-8-3-5-9-15(13)18/h3-11H,1-2H3/b14-11-.
What are the key properties of (Z)-3-(dimethylamino)-1-(2-fluorophenyl)-2-(2-nitrophenyl)prop-2-en-1-one?
(Z)-3-(dimethylamino)-1-(2-fluorophenyl)-2-(2-nitrophenyl)prop-2-en-1-one has a molecular weight of 314.32 g/mol, XLogP of 3.52, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(dimethylamino)-1-(2-fluorophenyl)-2-(2-nitrophenyl)prop-2-en-1-one is sourced from PubChem (CID 135051647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).