2-fluoro-N-[3-[2-[(3-nitrophenyl)methylidene]hydrazinyl]-3-oxopropyl]benzamide

C17H15FN4O4 — CID 3948081

IUPAC2-fluoro-N-[3-[2-[(3-nitrophenyl)methylidene]hydrazinyl]-3-oxopropyl]benzamide
SMILESO=C(CCNC(=O)c1ccccc1F)NN=Cc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C17H15FN4O4/c18-15-7-2-1-6-14(15)17(24)19-9-8-16(23)21-20-11-12-4-3-5-13(10-12)22(25)26/h1-7,10-11H,8-9H2,(H,19,24)(H,21,23)
InChIKeyJARIOBHXVJXSPS-UHFFFAOYSA-N
MW358.33 g/mol
LogP2.00
Rot. Bonds7

About 2-fluoro-N-[3-[2-[(3-nitrophenyl)methylidene]hydrazinyl]-3-oxopropyl]benzamide

2-fluoro-N-[3-[2-[(3-nitrophenyl)methylidene]hydrazinyl]-3-oxopropyl]benzamide (PubChem CID 3948081) has the molecular formula C17H15FN4O4 and a molecular weight of 358.33 g/mol. Its IUPAC name is 2-fluoro-N-[3-[2-[(3-nitrophenyl)methylidene]hydrazinyl]-3-oxopropyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[3-[2-[(3-nitrophenyl)methylidene]hydrazinyl]-3-oxopropyl]benzamide
PubChem CID3948081
Molecular FormulaC17H15FN4O4
Molecular Weight358.33 g/mol
Exact Mass358.11
IUPAC Name2-fluoro-N-[3-[2-[(3-nitrophenyl)methylidene]hydrazinyl]-3-oxopropyl]benzamide
SMILESO=C(CCNC(=O)c1ccccc1F)NN=Cc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C17H15FN4O4/c18-15-7-2-1-6-14(15)17(24)19-9-8-16(23)21-20-11-12-4-3-5-13(10-12)22(25)26/h1-7,10-11H,8-9H2,(H,19,24)(H,21,23)
InChIKeyJARIOBHXVJXSPS-UHFFFAOYSA-N
XLogP2.00
TPSA113.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.33
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-fluoro-N-[3-[2-[(3-nitrophenyl)methylidene]hydrazinyl]-3-oxopropyl]benzamide 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

2-fluoro-N-[3-[2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-3-oxopropyl]benzamide
CID 3553287
N-[(3-nitrophenyl)methylideneamino]-N'-[(Z)-(3-nitrophenyl)methylideneamino]pentanediamide
CID 5380788
N-[3-[2-[[3-ethoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylidene]hydrazinyl]-3-oxopropyl]-2-fluorobenzamide
CID 4571378
N-[(E)-(3-nitrophenyl)methylideneamino]butanamide
CID 19629163
N-naphthalen-1-yl-N'-[(3-nitrophenyl)methylideneamino]butanediamide
CID 4596802
2-methoxy-N-[2-[(2Z)-2-[(3-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 6107015
3-(2-hydroxyphenyl)-N-[(3-nitrophenyl)methylideneamino]propanamide
CID 171131742
4-hydroxy-N-[(3-nitrophenyl)methylideneamino]pentanamide
CID 2832941
N-[3-[2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-3-oxopropyl]-2-fluorobenzamide
CID 3942359
2-methyl-N-[(E)-(3-nitrophenyl)methylideneamino]benzamide
CID 6879661
N-[2-[(2E)-2-[(3-bromophenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-fluorobenzamide
CID 43948519
2-(4-chlorophenyl)-N-[(E)-(3-nitrophenyl)methylideneamino]acetamide
CID 6875923

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[3-[2-[(3-nitrophenyl)methylidene]hydrazinyl]-3-oxopropyl]benzamide?
The IUPAC name of 2-fluoro-N-[3-[2-[(3-nitrophenyl)methylidene]hydrazinyl]-3-oxopropyl]benzamide (CID 3948081) is 2-fluoro-N-[3-[2-[(3-nitrophenyl)methylidene]hydrazinyl]-3-oxopropyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[3-[2-[(3-nitrophenyl)methylidene]hydrazinyl]-3-oxopropyl]benzamide?
The canonical SMILES for 2-fluoro-N-[3-[2-[(3-nitrophenyl)methylidene]hydrazinyl]-3-oxopropyl]benzamide is O=C(CCNC(=O)c1ccccc1F)NN=Cc1cccc([N+](=O)[O-])c1.
What is the InChIKey of 2-fluoro-N-[3-[2-[(3-nitrophenyl)methylidene]hydrazinyl]-3-oxopropyl]benzamide?
The InChIKey is JARIOBHXVJXSPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4O4/c18-15-7-2-1-6-14(15)17(24)19-9-8-16(23)21-20-11-12-4-3-5-13(10-12)22(25)26/h1-7,10-11H,8-9H2,(H,19,24)(H,21,23).
What are the key properties of 2-fluoro-N-[3-[2-[(3-nitrophenyl)methylidene]hydrazinyl]-3-oxopropyl]benzamide?
2-fluoro-N-[3-[2-[(3-nitrophenyl)methylidene]hydrazinyl]-3-oxopropyl]benzamide has a molecular weight of 358.33 g/mol, XLogP of 2.00, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[3-[2-[(3-nitrophenyl)methylidene]hydrazinyl]-3-oxopropyl]benzamide is sourced from PubChem (CID 3948081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).