4-imidazol-1-yl-3-nitro-N'-(2,3,4-trifluorophenyl)benzohydrazide

C16H10F3N5O3 — CID 56518476

IUPAC4-imidazol-1-yl-3-nitro-N'-(2,3,4-trifluorophenyl)benzohydrazide
SMILESO=C(NNc1ccc(F)c(F)c1F)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1
InChIInChI=1S/C16H10F3N5O3/c17-10-2-3-11(15(19)14(10)18)21-22-16(25)9-1-4-12(13(7-9)24(26)27)23-6-5-20-8-23/h1-8,21H,(H,22,25)
InChIKeyJDQATPPMEWOQBW-UHFFFAOYSA-N
MW377.28 g/mol
LogP2.95
Rot. Bonds5

About 4-imidazol-1-yl-3-nitro-N'-(2,3,4-trifluorophenyl)benzohydrazide

4-imidazol-1-yl-3-nitro-N'-(2,3,4-trifluorophenyl)benzohydrazide (PubChem CID 56518476) has the molecular formula C16H10F3N5O3 and a molecular weight of 377.28 g/mol. Its IUPAC name is 4-imidazol-1-yl-3-nitro-N'-(2,3,4-trifluorophenyl)benzohydrazide.

Molecular Properties

Compound Name4-imidazol-1-yl-3-nitro-N'-(2,3,4-trifluorophenyl)benzohydrazide
PubChem CID56518476
Molecular FormulaC16H10F3N5O3
Molecular Weight377.28 g/mol
Exact Mass377.07
IUPAC Name4-imidazol-1-yl-3-nitro-N'-(2,3,4-trifluorophenyl)benzohydrazide
SMILESO=C(NNc1ccc(F)c(F)c1F)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1
InChIInChI=1S/C16H10F3N5O3/c17-10-2-3-11(15(19)14(10)18)21-22-16(25)9-1-4-12(13(7-9)24(26)27)23-6-5-20-8-23/h1-8,21H,(H,22,25)
InChIKeyJDQATPPMEWOQBW-UHFFFAOYSA-N
XLogP2.95
TPSA102.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.28
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', '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

N-(4-chloro-2-fluorophenyl)-4-imidazol-1-yl-3-nitrobenzamide
CID 26409874
3-nitro-4-(1,2,4-triazol-1-yl)-N-(2,3,4-trifluorophenyl)benzamide
CID 17405243
N-[2-(4-fluorophenyl)ethyl]-4-imidazol-1-yl-3-nitrobenzamide
CID 39044091
4-imidazol-1-yl-N-(4-methylphenyl)-3-nitrobenzamide
CID 26086024
N-[3-[(3-fluorophenyl)carbamoyl]phenyl]-4-imidazol-1-yl-3-nitrobenzamide
CID 60535989
4-[(3-fluoro-4-imidazol-1-ylphenyl)methylamino]-N-methyl-3-nitrobenzamide
CID 47983181
4-imidazol-1-yl-N-naphthalen-1-yl-3-nitrobenzamide
CID 7996640
4-imidazol-1-yl-3-nitro-N-(2-phenylphenyl)benzamide
CID 39286914
(2S)-2-[(4-imidazol-1-yl-3-nitrobenzoyl)amino]-3-methylbutanoic acid
CID 119360472
4-imidazol-1-yl-3-nitro-N-pyrrolidin-3-ylbenzamide
CID 119453564
N-(1-cyclopropylethyl)-4-imidazol-1-yl-3-nitrobenzamide
CID 45352289
N-(1,1-dioxothian-4-yl)-4-imidazol-1-yl-3-nitrobenzamide
CID 60512004

Frequently Asked Questions

What is the IUPAC name of 4-imidazol-1-yl-3-nitro-N'-(2,3,4-trifluorophenyl)benzohydrazide?
The IUPAC name of 4-imidazol-1-yl-3-nitro-N'-(2,3,4-trifluorophenyl)benzohydrazide (CID 56518476) is 4-imidazol-1-yl-3-nitro-N'-(2,3,4-trifluorophenyl)benzohydrazide.
What is the SMILES notation for 4-imidazol-1-yl-3-nitro-N'-(2,3,4-trifluorophenyl)benzohydrazide?
The canonical SMILES for 4-imidazol-1-yl-3-nitro-N'-(2,3,4-trifluorophenyl)benzohydrazide is O=C(NNc1ccc(F)c(F)c1F)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1.
What is the InChIKey of 4-imidazol-1-yl-3-nitro-N'-(2,3,4-trifluorophenyl)benzohydrazide?
The InChIKey is JDQATPPMEWOQBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F3N5O3/c17-10-2-3-11(15(19)14(10)18)21-22-16(25)9-1-4-12(13(7-9)24(26)27)23-6-5-20-8-23/h1-8,21H,(H,22,25).
What are the key properties of 4-imidazol-1-yl-3-nitro-N'-(2,3,4-trifluorophenyl)benzohydrazide?
4-imidazol-1-yl-3-nitro-N'-(2,3,4-trifluorophenyl)benzohydrazide has a molecular weight of 377.28 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imidazol-1-yl-3-nitro-N'-(2,3,4-trifluorophenyl)benzohydrazide is sourced from PubChem (CID 56518476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).