4-cyano-2-fluoro-N-[(Z)-[(Z)-3-(2-nitrophenyl)prop-2-enylidene]amino]benzamide

C17H11FN4O3 — CID 7341169

IUPAC4-cyano-2-fluoro-N-[(Z)-[(Z)-3-(2-nitrophenyl)prop-2-enylidene]amino]benzamide
SMILESN#Cc1ccc(C(=O)N/N=C\C=C/c2ccccc2[N+](=O)[O-])c(F)c1
InChIInChI=1S/C17H11FN4O3/c18-15-10-12(11-19)7-8-14(15)17(23)21-20-9-3-5-13-4-1-2-6-16(13)22(24)25/h1-10H,(H,21,23)/b5-3-,20-9-
InChIKeyIZQMDNZVELXWMK-PYXPNXEOSA-N
MW338.30 g/mol
LogP3.03
Rot. Bonds5

About 4-cyano-2-fluoro-N-[(Z)-[(Z)-3-(2-nitrophenyl)prop-2-enylidene]amino]benzamide

4-cyano-2-fluoro-N-[(Z)-[(Z)-3-(2-nitrophenyl)prop-2-enylidene]amino]benzamide (PubChem CID 7341169) has the molecular formula C17H11FN4O3 and a molecular weight of 338.30 g/mol. Its IUPAC name is 4-cyano-2-fluoro-N-[(Z)-[(Z)-3-(2-nitrophenyl)prop-2-enylidene]amino]benzamide.

Molecular Properties

Compound Name4-cyano-2-fluoro-N-[(Z)-[(Z)-3-(2-nitrophenyl)prop-2-enylidene]amino]benzamide
PubChem CID7341169
Molecular FormulaC17H11FN4O3
Molecular Weight338.30 g/mol
Exact Mass338.08
IUPAC Name4-cyano-2-fluoro-N-[(Z)-[(Z)-3-(2-nitrophenyl)prop-2-enylidene]amino]benzamide
SMILESN#Cc1ccc(C(=O)N/N=C\C=C/c2ccccc2[N+](=O)[O-])c(F)c1
InChIInChI=1S/C17H11FN4O3/c18-15-10-12(11-19)7-8-14(15)17(23)21-20-9-3-5-13-4-1-2-6-16(13)22(24)25/h1-10H,(H,21,23)/b5-3-,20-9-
InChIKeyIZQMDNZVELXWMK-PYXPNXEOSA-N
XLogP3.03
TPSA108.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.30
LogP ≤ 53.03
H-Bond Donors ≤ 51
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'}

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Related Compounds

4-bromo-N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]-1H-pyrrole-2-carboxamide
CID 8982753
2-(2-cyanophenoxy)-N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]acetamide
CID 9467684
N-[(Z)-[(Z)-3-(2-nitrophenyl)prop-2-enylidene]amino]pyrazine-2-carboxamide
CID 6506022
4-cyano-2-fluoro-N-(3-methyl-4-nitrophenyl)benzamide
CID 2989901
3-(2-nitrophenyl)-N-[3-(2-nitrophenyl)prop-2-enylideneamino]prop-2-en-1-imine
CID 4665830
N-[(Z)-[(Z)-3-(2-nitrophenyl)prop-2-enylidene]amino]pentanamide
CID 92534356
2,3,4,5,6-pentafluoro-N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]aniline
CID 9466475
N-[(E)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]-2-(thiophen-2-ylsulfonylamino)benzamide
CID 6901733
N-(4-cyano-2-nitrophenyl)-2-fluorobenzamide
CID 78965091
4-cyano-2-fluoro-N-(4-methyl-2-nitrophenyl)benzamide
CID 17102128
4-cyano-2-fluoro-N-[(5-phenylsulfanylfuran-2-yl)methylideneamino]benzamide
CID 1244627
2-amino-4-methyl-N-[(E)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]-1,3-thiazole-5-carboxamide
CID 75362340

Frequently Asked Questions

What is the IUPAC name of 4-cyano-2-fluoro-N-[(Z)-[(Z)-3-(2-nitrophenyl)prop-2-enylidene]amino]benzamide?
The IUPAC name of 4-cyano-2-fluoro-N-[(Z)-[(Z)-3-(2-nitrophenyl)prop-2-enylidene]amino]benzamide (CID 7341169) is 4-cyano-2-fluoro-N-[(Z)-[(Z)-3-(2-nitrophenyl)prop-2-enylidene]amino]benzamide.
What is the SMILES notation for 4-cyano-2-fluoro-N-[(Z)-[(Z)-3-(2-nitrophenyl)prop-2-enylidene]amino]benzamide?
The canonical SMILES for 4-cyano-2-fluoro-N-[(Z)-[(Z)-3-(2-nitrophenyl)prop-2-enylidene]amino]benzamide is N#Cc1ccc(C(=O)N/N=C\C=C/c2ccccc2[N+](=O)[O-])c(F)c1.
What is the InChIKey of 4-cyano-2-fluoro-N-[(Z)-[(Z)-3-(2-nitrophenyl)prop-2-enylidene]amino]benzamide?
The InChIKey is IZQMDNZVELXWMK-PYXPNXEOSA-N. The full InChI is InChI=1S/C17H11FN4O3/c18-15-10-12(11-19)7-8-14(15)17(23)21-20-9-3-5-13-4-1-2-6-16(13)22(24)25/h1-10H,(H,21,23)/b5-3-,20-9-.
What are the key properties of 4-cyano-2-fluoro-N-[(Z)-[(Z)-3-(2-nitrophenyl)prop-2-enylidene]amino]benzamide?
4-cyano-2-fluoro-N-[(Z)-[(Z)-3-(2-nitrophenyl)prop-2-enylidene]amino]benzamide has a molecular weight of 338.30 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-2-fluoro-N-[(Z)-[(Z)-3-(2-nitrophenyl)prop-2-enylidene]amino]benzamide is sourced from PubChem (CID 7341169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).