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

C15H15N3O7 — CID 100610624

IUPAC5-(dimethoxymethyl)-N'-(3-nitrobenzoyl)furan-2-carbohydrazide
SMILESCOC(OC)c1ccc(C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)o1
InChIInChI=1S/C15H15N3O7/c1-23-15(24-2)12-7-6-11(25-12)14(20)17-16-13(19)9-4-3-5-10(8-9)18(21)22/h3-8,15H,1-2H3,(H,16,19)(H,17,20)
InChIKeyMAAUBXUTLCCKNA-UHFFFAOYSA-N
MW349.30 g/mol
LogP1.55
Rot. Bonds6

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

5-(dimethoxymethyl)-N'-(3-nitrobenzoyl)furan-2-carbohydrazide (PubChem CID 100610624) has the molecular formula C15H15N3O7 and a molecular weight of 349.30 g/mol. Its IUPAC name is 5-(dimethoxymethyl)-N'-(3-nitrobenzoyl)furan-2-carbohydrazide.

Molecular Properties

Compound Name5-(dimethoxymethyl)-N'-(3-nitrobenzoyl)furan-2-carbohydrazide
PubChem CID100610624
Molecular FormulaC15H15N3O7
Molecular Weight349.30 g/mol
Exact Mass349.09
IUPAC Name5-(dimethoxymethyl)-N'-(3-nitrobenzoyl)furan-2-carbohydrazide
SMILESCOC(OC)c1ccc(C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)o1
InChIInChI=1S/C15H15N3O7/c1-23-15(24-2)12-7-6-11(25-12)14(20)17-16-13(19)9-4-3-5-10(8-9)18(21)22/h3-8,15H,1-2H3,(H,16,19)(H,17,20)
InChIKeyMAAUBXUTLCCKNA-UHFFFAOYSA-N
XLogP1.55
TPSA132.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.30
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', '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

5-(2-fluorophenyl)-N'-(3-nitrobenzoyl)furan-2-carbohydrazide
CID 9402087
N'-(2-methoxyacetyl)-3-nitrobenzohydrazide
CID 17386589
N'-(3-nitrobenzoyl)furan-2-carbohydrazide
CID 3127339
N'-(3-methylbutanoyl)-3-nitrobenzohydrazide
CID 9333812
N'-(4-methylbenzoyl)-3-nitrobenzohydrazide
CID 4506110
N-methoxy-N-methyl-3-[[(3-nitrobenzoyl)amino]carbamoyl]benzenesulfonamide
CID 35125317
N'-(2-bromopropanoyl)-3-nitrobenzohydrazide
CID 3797916
N'-[3-(4-methoxyphenyl)propanoyl]-3-nitrobenzohydrazide
CID 26533874
5-bromo-N-[2-[2-(3-nitrobenzoyl)hydrazinyl]-2-oxoethyl]furan-2-carboxamide
CID 27662850
3-bromo-4-methoxy-N'-(3-nitrobenzoyl)benzohydrazide
CID 4654337
N'-[(E)-3-(3-methoxyphenyl)prop-2-enoyl]-3-nitrobenzohydrazide
CID 26534157
N-methoxy-4-[[(3-nitrobenzoyl)amino]carbamoyl]benzenesulfonamide
CID 55704286

Frequently Asked Questions

What is the IUPAC name of 5-(dimethoxymethyl)-N'-(3-nitrobenzoyl)furan-2-carbohydrazide?
The IUPAC name of 5-(dimethoxymethyl)-N'-(3-nitrobenzoyl)furan-2-carbohydrazide (CID 100610624) is 5-(dimethoxymethyl)-N'-(3-nitrobenzoyl)furan-2-carbohydrazide.
What is the SMILES notation for 5-(dimethoxymethyl)-N'-(3-nitrobenzoyl)furan-2-carbohydrazide?
The canonical SMILES for 5-(dimethoxymethyl)-N'-(3-nitrobenzoyl)furan-2-carbohydrazide is COC(OC)c1ccc(C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)o1.
What is the InChIKey of 5-(dimethoxymethyl)-N'-(3-nitrobenzoyl)furan-2-carbohydrazide?
The InChIKey is MAAUBXUTLCCKNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O7/c1-23-15(24-2)12-7-6-11(25-12)14(20)17-16-13(19)9-4-3-5-10(8-9)18(21)22/h3-8,15H,1-2H3,(H,16,19)(H,17,20).
What are the key properties of 5-(dimethoxymethyl)-N'-(3-nitrobenzoyl)furan-2-carbohydrazide?
5-(dimethoxymethyl)-N'-(3-nitrobenzoyl)furan-2-carbohydrazide has a molecular weight of 349.30 g/mol, XLogP of 1.55, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethoxymethyl)-N'-(3-nitrobenzoyl)furan-2-carbohydrazide is sourced from PubChem (CID 100610624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).