5-bromo-N-[2-[2-(3-nitrobenzoyl)hydrazinyl]-2-oxoethyl]furan-2-carboxamide

C14H11BrN4O6 — CID 27662850

IUPAC5-bromo-N-[2-[2-(3-nitrobenzoyl)hydrazinyl]-2-oxoethyl]furan-2-carboxamide
SMILESO=C(CNC(=O)c1ccc(Br)o1)NNC(=O)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C14H11BrN4O6/c15-11-5-4-10(25-11)14(22)16-7-12(20)17-18-13(21)8-2-1-3-9(6-8)19(23)24/h1-6H,7H2,(H,16,22)(H,17,20)(H,18,21)
InChIKeyDICQLDWHQLGAQK-UHFFFAOYSA-N
MW411.17 g/mol
LogP1.14
Rot. Bonds5

About 5-bromo-N-[2-[2-(3-nitrobenzoyl)hydrazinyl]-2-oxoethyl]furan-2-carboxamide

5-bromo-N-[2-[2-(3-nitrobenzoyl)hydrazinyl]-2-oxoethyl]furan-2-carboxamide (PubChem CID 27662850) has the molecular formula C14H11BrN4O6 and a molecular weight of 411.17 g/mol. Its IUPAC name is 5-bromo-N-[2-[2-(3-nitrobenzoyl)hydrazinyl]-2-oxoethyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[2-[2-(3-nitrobenzoyl)hydrazinyl]-2-oxoethyl]furan-2-carboxamide
PubChem CID27662850
Molecular FormulaC14H11BrN4O6
Molecular Weight411.17 g/mol
Exact Mass409.99
IUPAC Name5-bromo-N-[2-[2-(3-nitrobenzoyl)hydrazinyl]-2-oxoethyl]furan-2-carboxamide
SMILESO=C(CNC(=O)c1ccc(Br)o1)NNC(=O)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C14H11BrN4O6/c15-11-5-4-10(25-11)14(22)16-7-12(20)17-18-13(21)8-2-1-3-9(6-8)19(23)24/h1-6H,7H2,(H,16,22)(H,17,20)(H,18,21)
InChIKeyDICQLDWHQLGAQK-UHFFFAOYSA-N
XLogP1.14
TPSA143.58 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.17
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

[2-[2-(3-nitrobenzoyl)hydrazinyl]-2-oxoethyl]urea
CID 18168702
N'-[5-(4-bromophenyl)pentanoyl]-3-nitrobenzohydrazide
CID 55752300
3-nitro-N-[2-oxo-2-[2-(pyridine-2-carbonyl)hydrazinyl]ethyl]benzamide
CID 27662135
N'-[3-(3-bromophenyl)propanoyl]-3-nitrobenzohydrazide
CID 78774211
N'-(2-methoxyacetyl)-3-nitrobenzohydrazide
CID 17386589
N'-(3-methylbutanoyl)-3-nitrobenzohydrazide
CID 9333812
5-(dimethoxymethyl)-N'-(3-nitrobenzoyl)furan-2-carbohydrazide
CID 100610624
N'-[2-(2,3-dihydro-1H-inden-5-yl)acetyl]-3-nitrobenzohydrazide
CID 8573535
N-(bromomethyl)-3-nitrobenzamide
CID 152767931
2-bromo-N'-(3-nitrobenzoyl)benzohydrazide
CID 3817940
N'-(3-nitrobenzoyl)furan-2-carbohydrazide
CID 3127339
N-[2-[[5-(4-bromophenyl)furan-2-yl]methylamino]-2-oxoethyl]-3-nitrobenzamide
CID 24588464

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-[2-(3-nitrobenzoyl)hydrazinyl]-2-oxoethyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[2-[2-(3-nitrobenzoyl)hydrazinyl]-2-oxoethyl]furan-2-carboxamide (CID 27662850) is 5-bromo-N-[2-[2-(3-nitrobenzoyl)hydrazinyl]-2-oxoethyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[2-[2-(3-nitrobenzoyl)hydrazinyl]-2-oxoethyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[2-[2-(3-nitrobenzoyl)hydrazinyl]-2-oxoethyl]furan-2-carboxamide is O=C(CNC(=O)c1ccc(Br)o1)NNC(=O)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of 5-bromo-N-[2-[2-(3-nitrobenzoyl)hydrazinyl]-2-oxoethyl]furan-2-carboxamide?
The InChIKey is DICQLDWHQLGAQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN4O6/c15-11-5-4-10(25-11)14(22)16-7-12(20)17-18-13(21)8-2-1-3-9(6-8)19(23)24/h1-6H,7H2,(H,16,22)(H,17,20)(H,18,21).
What are the key properties of 5-bromo-N-[2-[2-(3-nitrobenzoyl)hydrazinyl]-2-oxoethyl]furan-2-carboxamide?
5-bromo-N-[2-[2-(3-nitrobenzoyl)hydrazinyl]-2-oxoethyl]furan-2-carboxamide has a molecular weight of 411.17 g/mol, XLogP of 1.14, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-[2-(3-nitrobenzoyl)hydrazinyl]-2-oxoethyl]furan-2-carboxamide is sourced from PubChem (CID 27662850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).