N-[(Z)-1-(3-nitrophenyl)-3-oxo-3-(prop-2-enylamino)prop-1-en-2-yl]benzamide

C19H17N3O4 — CID 2131134

IUPACN-[(Z)-1-(3-nitrophenyl)-3-oxo-3-(prop-2-enylamino)prop-1-en-2-yl]benzamide
SMILESC=CCNC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)NC(=O)c1ccccc1
InChIInChI=1S/C19H17N3O4/c1-2-11-20-19(24)17(21-18(23)15-8-4-3-5-9-15)13-14-7-6-10-16(12-14)22(25)26/h2-10,12-13H,1,11H2,(H,20,24)(H,21,23)/b17-13-
InChIKeyVPFGPICGSKBJHU-LGMDPLHJSA-N
MW351.36 g/mol
LogP2.67
Rot. Bonds7

About N-[(Z)-1-(3-nitrophenyl)-3-oxo-3-(prop-2-enylamino)prop-1-en-2-yl]benzamide

N-[(Z)-1-(3-nitrophenyl)-3-oxo-3-(prop-2-enylamino)prop-1-en-2-yl]benzamide (PubChem CID 2131134) has the molecular formula C19H17N3O4 and a molecular weight of 351.36 g/mol. Its IUPAC name is N-[(Z)-1-(3-nitrophenyl)-3-oxo-3-(prop-2-enylamino)prop-1-en-2-yl]benzamide.

Molecular Properties

Compound NameN-[(Z)-1-(3-nitrophenyl)-3-oxo-3-(prop-2-enylamino)prop-1-en-2-yl]benzamide
PubChem CID2131134
Molecular FormulaC19H17N3O4
Molecular Weight351.36 g/mol
Exact Mass351.12
IUPAC NameN-[(Z)-1-(3-nitrophenyl)-3-oxo-3-(prop-2-enylamino)prop-1-en-2-yl]benzamide
SMILESC=CCNC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)NC(=O)c1ccccc1
InChIInChI=1S/C19H17N3O4/c1-2-11-20-19(24)17(21-18(23)15-8-4-3-5-9-15)13-14-7-6-10-16(12-14)22(25)26/h2-10,12-13H,1,11H2,(H,20,24)(H,21,23)/b17-13-
InChIKeyVPFGPICGSKBJHU-LGMDPLHJSA-N
XLogP2.67
TPSA101.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.36
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', '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'}

Analyze N-[(Z)-1-(3-nitrophenyl)-3-oxo-3-(prop-2-enylamino)prop-1-en-2-yl]benzamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(3-nitrophenyl)-3-oxo-3-(prop-2-enylamino)prop-1-en-2-yl]benzamide?
The IUPAC name of N-[(Z)-1-(3-nitrophenyl)-3-oxo-3-(prop-2-enylamino)prop-1-en-2-yl]benzamide (CID 2131134) is N-[(Z)-1-(3-nitrophenyl)-3-oxo-3-(prop-2-enylamino)prop-1-en-2-yl]benzamide.
What is the SMILES notation for N-[(Z)-1-(3-nitrophenyl)-3-oxo-3-(prop-2-enylamino)prop-1-en-2-yl]benzamide?
The canonical SMILES for N-[(Z)-1-(3-nitrophenyl)-3-oxo-3-(prop-2-enylamino)prop-1-en-2-yl]benzamide is C=CCNC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)NC(=O)c1ccccc1.
What is the InChIKey of N-[(Z)-1-(3-nitrophenyl)-3-oxo-3-(prop-2-enylamino)prop-1-en-2-yl]benzamide?
The InChIKey is VPFGPICGSKBJHU-LGMDPLHJSA-N. The full InChI is InChI=1S/C19H17N3O4/c1-2-11-20-19(24)17(21-18(23)15-8-4-3-5-9-15)13-14-7-6-10-16(12-14)22(25)26/h2-10,12-13H,1,11H2,(H,20,24)(H,21,23)/b17-13-.
What are the key properties of N-[(Z)-1-(3-nitrophenyl)-3-oxo-3-(prop-2-enylamino)prop-1-en-2-yl]benzamide?
N-[(Z)-1-(3-nitrophenyl)-3-oxo-3-(prop-2-enylamino)prop-1-en-2-yl]benzamide has a molecular weight of 351.36 g/mol, XLogP of 2.67, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(3-nitrophenyl)-3-oxo-3-(prop-2-enylamino)prop-1-en-2-yl]benzamide is sourced from PubChem (CID 2131134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).