N'-(3-cyanophenyl)-2-fluoro-6-nitrobenzohydrazide

C14H9FN4O3 — CID 141459073

IUPACN'-(3-cyanophenyl)-2-fluoro-6-nitrobenzohydrazide
SMILESN#Cc1cccc(NNC(=O)c2c(F)cccc2[N+](=O)[O-])c1
InChIInChI=1S/C14H9FN4O3/c15-11-5-2-6-12(19(21)22)13(11)14(20)18-17-10-4-1-3-9(7-10)8-16/h1-7,17H,(H,18,20)
InChIKeyXWKNYKUSPFVWBS-UHFFFAOYSA-N
MW300.25 g/mol
LogP2.36
Rot. Bonds4

About N'-(3-cyanophenyl)-2-fluoro-6-nitrobenzohydrazide

N'-(3-cyanophenyl)-2-fluoro-6-nitrobenzohydrazide (PubChem CID 141459073) has the molecular formula C14H9FN4O3 and a molecular weight of 300.25 g/mol. Its IUPAC name is N'-(3-cyanophenyl)-2-fluoro-6-nitrobenzohydrazide.

Molecular Properties

Compound NameN'-(3-cyanophenyl)-2-fluoro-6-nitrobenzohydrazide
PubChem CID141459073
Molecular FormulaC14H9FN4O3
Molecular Weight300.25 g/mol
Exact Mass300.07
IUPAC NameN'-(3-cyanophenyl)-2-fluoro-6-nitrobenzohydrazide
SMILESN#Cc1cccc(NNC(=O)c2c(F)cccc2[N+](=O)[O-])c1
InChIInChI=1S/C14H9FN4O3/c15-11-5-2-6-12(19(21)22)13(11)14(20)18-17-10-4-1-3-9(7-10)8-16/h1-7,17H,(H,18,20)
InChIKeyXWKNYKUSPFVWBS-UHFFFAOYSA-N
XLogP2.36
TPSA108.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.25
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3-cyanophenyl)-5-hydroxy-2-nitrobenzamide
CID 102740776
N'-(3-cyanophenyl)acetohydrazide
CID 131038876
N-(3-cyanophenyl)-5-methylsulfanyl-2-nitrobenzamide
CID 27872899
2-fluoro-6-nitrobenzoic acid
CID 603758
N-(3-cyanophenyl)-5-methyl-2-nitrobenzamide
CID 65461418
N-(4-cyano-2-nitrophenyl)-2-fluorobenzamide
CID 78965091
N-(3-cyanophenyl)-4-(cyclopropylamino)-3-nitrobenzamide
CID 26727779
N-[(1S)-1-(3-cyanophenyl)ethyl]-2-methyl-6-nitrobenzamide
CID 129434064
3-(4-acetyl-2-nitroanilino)benzonitrile
CID 9283379
3-(2-nitroethenylamino)benzonitrile
CID 68854214
(2S)-N-(3-cyanophenyl)-2-(2-nitrophenoxy)propanamide
CID 7819136
N-[(4,6-dimethylpyrimidin-2-yl)carbamoyl]-2-fluoro-6-nitrobenzamide
CID 134099946

Frequently Asked Questions

What is the IUPAC name of N'-(3-cyanophenyl)-2-fluoro-6-nitrobenzohydrazide?
The IUPAC name of N'-(3-cyanophenyl)-2-fluoro-6-nitrobenzohydrazide (CID 141459073) is N'-(3-cyanophenyl)-2-fluoro-6-nitrobenzohydrazide.
What is the SMILES notation for N'-(3-cyanophenyl)-2-fluoro-6-nitrobenzohydrazide?
The canonical SMILES for N'-(3-cyanophenyl)-2-fluoro-6-nitrobenzohydrazide is N#Cc1cccc(NNC(=O)c2c(F)cccc2[N+](=O)[O-])c1.
What is the InChIKey of N'-(3-cyanophenyl)-2-fluoro-6-nitrobenzohydrazide?
The InChIKey is XWKNYKUSPFVWBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9FN4O3/c15-11-5-2-6-12(19(21)22)13(11)14(20)18-17-10-4-1-3-9(7-10)8-16/h1-7,17H,(H,18,20).
What are the key properties of N'-(3-cyanophenyl)-2-fluoro-6-nitrobenzohydrazide?
N'-(3-cyanophenyl)-2-fluoro-6-nitrobenzohydrazide has a molecular weight of 300.25 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-cyanophenyl)-2-fluoro-6-nitrobenzohydrazide is sourced from PubChem (CID 141459073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).