5-(2-fluorophenyl)-N'-(3-nitrobenzoyl)furan-2-carbohydrazide

C18H12FN3O5 — CID 9402087

IUPAC5-(2-fluorophenyl)-N'-(3-nitrobenzoyl)furan-2-carbohydrazide
SMILESO=C(NNC(=O)c1ccc(-c2ccccc2F)o1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C18H12FN3O5/c19-14-7-2-1-6-13(14)15-8-9-16(27-15)18(24)21-20-17(23)11-4-3-5-12(10-11)22(25)26/h1-10H,(H,20,23)(H,21,24)
InChIKeyMHWHPWFCTVMOFE-UHFFFAOYSA-N
MW369.31 g/mol
LogP3.07
Rot. Bonds4

About 5-(2-fluorophenyl)-N'-(3-nitrobenzoyl)furan-2-carbohydrazide

5-(2-fluorophenyl)-N'-(3-nitrobenzoyl)furan-2-carbohydrazide (PubChem CID 9402087) has the molecular formula C18H12FN3O5 and a molecular weight of 369.31 g/mol. Its IUPAC name is 5-(2-fluorophenyl)-N'-(3-nitrobenzoyl)furan-2-carbohydrazide.

Molecular Properties

Compound Name5-(2-fluorophenyl)-N'-(3-nitrobenzoyl)furan-2-carbohydrazide
PubChem CID9402087
Molecular FormulaC18H12FN3O5
Molecular Weight369.31 g/mol
Exact Mass369.08
IUPAC Name5-(2-fluorophenyl)-N'-(3-nitrobenzoyl)furan-2-carbohydrazide
SMILESO=C(NNC(=O)c1ccc(-c2ccccc2F)o1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C18H12FN3O5/c19-14-7-2-1-6-13(14)15-8-9-16(27-15)18(24)21-20-17(23)11-4-3-5-12(10-11)22(25)26/h1-10H,(H,20,23)(H,21,24)
InChIKeyMHWHPWFCTVMOFE-UHFFFAOYSA-N
XLogP3.07
TPSA114.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.31
LogP ≤ 53.07
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-[5-(2-fluorophenyl)furan-2-yl]propanoyl]-3-nitrobenzohydrazide
CID 26718505
N'-[5-(2-fluorophenyl)furan-2-carbonyl]pyridine-3-carbohydrazide
CID 51180148
5-(dimethoxymethyl)-N'-(3-nitrobenzoyl)furan-2-carbohydrazide
CID 100610624
N-(2-fluorophenyl)-5-(3-nitrophenyl)furan-2-carboxamide
CID 940584
N'-(3-nitrobenzoyl)furan-2-carbohydrazide
CID 3127339
N'-[2-(2-fluorophenoxy)acetyl]-3-nitrobenzohydrazide
CID 7434007
3-[(1,3-dioxoisoindol-2-yl)methyl]-N'-(3-nitrobenzoyl)benzohydrazide
CID 55334448
5-(2-chlorophenyl)-N-(3-nitrophenyl)furan-2-carboxamide
CID 945636
5-bromo-N-[2-[2-(3-nitrobenzoyl)hydrazinyl]-2-oxoethyl]furan-2-carboxamide
CID 27662850
3-[5-(2-fluorophenyl)furan-2-yl]-N-(3-nitrophenyl)propanamide
CID 18093403
5-bromo-2-fluoro-N'-(3-nitrobenzoyl)benzohydrazide
CID 9333738
4-fluoro-N'-[1-(3-nitrophenyl)ethenyl]benzohydrazide
CID 5087058

Frequently Asked Questions

What is the IUPAC name of 5-(2-fluorophenyl)-N'-(3-nitrobenzoyl)furan-2-carbohydrazide?
The IUPAC name of 5-(2-fluorophenyl)-N'-(3-nitrobenzoyl)furan-2-carbohydrazide (CID 9402087) is 5-(2-fluorophenyl)-N'-(3-nitrobenzoyl)furan-2-carbohydrazide.
What is the SMILES notation for 5-(2-fluorophenyl)-N'-(3-nitrobenzoyl)furan-2-carbohydrazide?
The canonical SMILES for 5-(2-fluorophenyl)-N'-(3-nitrobenzoyl)furan-2-carbohydrazide is O=C(NNC(=O)c1ccc(-c2ccccc2F)o1)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of 5-(2-fluorophenyl)-N'-(3-nitrobenzoyl)furan-2-carbohydrazide?
The InChIKey is MHWHPWFCTVMOFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12FN3O5/c19-14-7-2-1-6-13(14)15-8-9-16(27-15)18(24)21-20-17(23)11-4-3-5-12(10-11)22(25)26/h1-10H,(H,20,23)(H,21,24).
What are the key properties of 5-(2-fluorophenyl)-N'-(3-nitrobenzoyl)furan-2-carbohydrazide?
5-(2-fluorophenyl)-N'-(3-nitrobenzoyl)furan-2-carbohydrazide has a molecular weight of 369.31 g/mol, XLogP of 3.07, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluorophenyl)-N'-(3-nitrobenzoyl)furan-2-carbohydrazide is sourced from PubChem (CID 9402087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).