N'-[3-[5-(2-fluorophenyl)furan-2-yl]propanoyl]-3-nitrobenzohydrazide

C20H16FN3O5 — CID 26718505

IUPACN'-[3-[5-(2-fluorophenyl)furan-2-yl]propanoyl]-3-nitrobenzohydrazide
SMILESO=C(CCc1ccc(-c2ccccc2F)o1)NNC(=O)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C20H16FN3O5/c21-17-7-2-1-6-16(17)18-10-8-15(29-18)9-11-19(25)22-23-20(26)13-4-3-5-14(12-13)24(27)28/h1-8,10,12H,9,11H2,(H,22,25)(H,23,26)
InChIKeyDTFYJMCVFFPGCG-UHFFFAOYSA-N
MW397.36 g/mol
LogP3.39
Rot. Bonds6

About N'-[3-[5-(2-fluorophenyl)furan-2-yl]propanoyl]-3-nitrobenzohydrazide

N'-[3-[5-(2-fluorophenyl)furan-2-yl]propanoyl]-3-nitrobenzohydrazide (PubChem CID 26718505) has the molecular formula C20H16FN3O5 and a molecular weight of 397.36 g/mol. Its IUPAC name is N'-[3-[5-(2-fluorophenyl)furan-2-yl]propanoyl]-3-nitrobenzohydrazide.

Molecular Properties

Compound NameN'-[3-[5-(2-fluorophenyl)furan-2-yl]propanoyl]-3-nitrobenzohydrazide
PubChem CID26718505
Molecular FormulaC20H16FN3O5
Molecular Weight397.36 g/mol
Exact Mass397.11
IUPAC NameN'-[3-[5-(2-fluorophenyl)furan-2-yl]propanoyl]-3-nitrobenzohydrazide
SMILESO=C(CCc1ccc(-c2ccccc2F)o1)NNC(=O)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C20H16FN3O5/c21-17-7-2-1-6-16(17)18-10-8-15(29-18)9-11-19(25)22-23-20(26)13-4-3-5-14(12-13)24(27)28/h1-8,10,12H,9,11H2,(H,22,25)(H,23,26)
InChIKeyDTFYJMCVFFPGCG-UHFFFAOYSA-N
XLogP3.39
TPSA114.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.36
LogP ≤ 53.39
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

5-(2-fluorophenyl)-N'-(3-nitrobenzoyl)furan-2-carbohydrazide
CID 9402087
3-[5-(2-fluorophenyl)furan-2-yl]-N-(3-nitrophenyl)propanamide
CID 18093403
N'-[2-(2-fluorophenoxy)acetyl]-3-nitrobenzohydrazide
CID 7434007
N'-[3-(3-bromophenyl)propanoyl]-3-nitrobenzohydrazide
CID 78774211
3-chloro-N'-[3-(5-phenylfuran-2-yl)propanoyl]benzohydrazide
CID 9475645
N'-[3-(4-methoxyphenyl)propanoyl]-3-nitrobenzohydrazide
CID 26533874
3-nitro-N'-tetradecanoylbenzohydrazide
CID 54791907
N-cyclopropyl-3-[5-(2-fluorophenyl)furan-2-yl]propanamide
CID 17419085
[2-[2-(3-nitrobenzoyl)hydrazinyl]-2-oxoethyl]urea
CID 18168702
N-(2-acetamidoethyl)-3-[5-(2-fluorophenyl)furan-2-yl]propanamide
CID 30598254
N'-(3-ethoxypropanoyl)-3-nitrobenzohydrazide
CID 17357857
N'-(2-methoxyacetyl)-3-nitrobenzohydrazide
CID 17386589

Frequently Asked Questions

What is the IUPAC name of N'-[3-[5-(2-fluorophenyl)furan-2-yl]propanoyl]-3-nitrobenzohydrazide?
The IUPAC name of N'-[3-[5-(2-fluorophenyl)furan-2-yl]propanoyl]-3-nitrobenzohydrazide (CID 26718505) is N'-[3-[5-(2-fluorophenyl)furan-2-yl]propanoyl]-3-nitrobenzohydrazide.
What is the SMILES notation for N'-[3-[5-(2-fluorophenyl)furan-2-yl]propanoyl]-3-nitrobenzohydrazide?
The canonical SMILES for N'-[3-[5-(2-fluorophenyl)furan-2-yl]propanoyl]-3-nitrobenzohydrazide is O=C(CCc1ccc(-c2ccccc2F)o1)NNC(=O)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of N'-[3-[5-(2-fluorophenyl)furan-2-yl]propanoyl]-3-nitrobenzohydrazide?
The InChIKey is DTFYJMCVFFPGCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN3O5/c21-17-7-2-1-6-16(17)18-10-8-15(29-18)9-11-19(25)22-23-20(26)13-4-3-5-14(12-13)24(27)28/h1-8,10,12H,9,11H2,(H,22,25)(H,23,26).
What are the key properties of N'-[3-[5-(2-fluorophenyl)furan-2-yl]propanoyl]-3-nitrobenzohydrazide?
N'-[3-[5-(2-fluorophenyl)furan-2-yl]propanoyl]-3-nitrobenzohydrazide has a molecular weight of 397.36 g/mol, XLogP of 3.39, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-[5-(2-fluorophenyl)furan-2-yl]propanoyl]-3-nitrobenzohydrazide is sourced from PubChem (CID 26718505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).