4-chloro-N'-[3-(4-fluorophenyl)prop-2-enoyl]-3-nitrobenzohydrazide

C16H11ClFN3O4 — CID 3415524

IUPAC4-chloro-N'-[3-(4-fluorophenyl)prop-2-enoyl]-3-nitrobenzohydrazide
SMILESO=C(C=Cc1ccc(F)cc1)NNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C16H11ClFN3O4/c17-13-7-4-11(9-14(13)21(24)25)16(23)20-19-15(22)8-3-10-1-5-12(18)6-2-10/h1-9H,(H,19,22)(H,20,23)
InChIKeyVTNHRMRUZJSJKB-UHFFFAOYSA-N
MW363.73 g/mol
LogP2.86
Rot. Bonds4

About 4-chloro-N'-[3-(4-fluorophenyl)prop-2-enoyl]-3-nitrobenzohydrazide

4-chloro-N'-[3-(4-fluorophenyl)prop-2-enoyl]-3-nitrobenzohydrazide (PubChem CID 3415524) has the molecular formula C16H11ClFN3O4 and a molecular weight of 363.73 g/mol. Its IUPAC name is 4-chloro-N'-[3-(4-fluorophenyl)prop-2-enoyl]-3-nitrobenzohydrazide.

Molecular Properties

Compound Name4-chloro-N'-[3-(4-fluorophenyl)prop-2-enoyl]-3-nitrobenzohydrazide
PubChem CID3415524
Molecular FormulaC16H11ClFN3O4
Molecular Weight363.73 g/mol
Exact Mass363.04
IUPAC Name4-chloro-N'-[3-(4-fluorophenyl)prop-2-enoyl]-3-nitrobenzohydrazide
SMILESO=C(C=Cc1ccc(F)cc1)NNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C16H11ClFN3O4/c17-13-7-4-11(9-14(13)21(24)25)16(23)20-19-15(22)8-3-10-1-5-12(18)6-2-10/h1-9H,(H,19,22)(H,20,23)
InChIKeyVTNHRMRUZJSJKB-UHFFFAOYSA-N
XLogP2.86
TPSA101.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.73
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_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-Chloro-3-nitrobenzamide
CID 27942
Benzoic acid, 4-chloro-, 2-phenylhydrazide
CID 27023
4-Chloro-3-nitrobenzanilide
CID 96073
4-chloro-N-(morpholin-4-yl)-3-nitrobenzamide
CID 4415984
4-Chlorobenzoic N2-(4-nitrophenyl)hydrazide
CID 3106534
4-chloro-N-(2,4-difluorophenyl)-3-nitrobenzamide
CID 690075
4-chloro-3-nitro-N-[3-(trifluoromethyl)phenyl]benzamide
CID 765730
4-chloro-3-nitro-N-(4-methyl-1-piperazinyl)benzamide
CID 840210
3-nitro-N'-(2,4,6-trichlorophenyl)benzohydrazide
CID 3099153
2-chloro-N'-(4-nitrophenyl)benzohydrazide
CID 3109024
N'-[(4-chlorophenyl)carbonyl]-2-nitrobenzohydrazide
CID 5234790
4-chloro-N-(2-fluorophenyl)-3-nitrobenzamide
CID 2841903

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N'-[3-(4-fluorophenyl)prop-2-enoyl]-3-nitrobenzohydrazide?
The IUPAC name of 4-chloro-N'-[3-(4-fluorophenyl)prop-2-enoyl]-3-nitrobenzohydrazide (CID 3415524) is 4-chloro-N'-[3-(4-fluorophenyl)prop-2-enoyl]-3-nitrobenzohydrazide.
What is the SMILES notation for 4-chloro-N'-[3-(4-fluorophenyl)prop-2-enoyl]-3-nitrobenzohydrazide?
The canonical SMILES for 4-chloro-N'-[3-(4-fluorophenyl)prop-2-enoyl]-3-nitrobenzohydrazide is O=C(C=Cc1ccc(F)cc1)NNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1.
What is the InChIKey of 4-chloro-N'-[3-(4-fluorophenyl)prop-2-enoyl]-3-nitrobenzohydrazide?
The InChIKey is VTNHRMRUZJSJKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClFN3O4/c17-13-7-4-11(9-14(13)21(24)25)16(23)20-19-15(22)8-3-10-1-5-12(18)6-2-10/h1-9H,(H,19,22)(H,20,23).
What are the key properties of 4-chloro-N'-[3-(4-fluorophenyl)prop-2-enoyl]-3-nitrobenzohydrazide?
4-chloro-N'-[3-(4-fluorophenyl)prop-2-enoyl]-3-nitrobenzohydrazide has a molecular weight of 363.73 g/mol, XLogP of 2.86, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N'-[3-(4-fluorophenyl)prop-2-enoyl]-3-nitrobenzohydrazide is sourced from PubChem (CID 3415524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).