4-fluoro-5-hydrazinyl-N-[2-(methylamino)-2-oxoethyl]-2-nitrobenzamide

C10H12FN5O4 — CID 62242120

IUPAC4-fluoro-5-hydrazinyl-N-[2-(methylamino)-2-oxoethyl]-2-nitrobenzamide
SMILESCNC(=O)CNC(=O)c1cc(NN)c(F)cc1[N+](=O)[O-]
InChIInChI=1S/C10H12FN5O4/c1-13-9(17)4-14-10(18)5-2-7(15-12)6(11)3-8(5)16(19)20/h2-3,15H,4,12H2,1H3,(H,13,17)(H,14,18)
InChIKeyUGGNQEDCDYGQAJ-UHFFFAOYSA-N
MW285.24 g/mol
LogP-0.50
Rot. Bonds5

About 4-fluoro-5-hydrazinyl-N-[2-(methylamino)-2-oxoethyl]-2-nitrobenzamide

4-fluoro-5-hydrazinyl-N-[2-(methylamino)-2-oxoethyl]-2-nitrobenzamide (PubChem CID 62242120) has the molecular formula C10H12FN5O4 and a molecular weight of 285.24 g/mol. Its IUPAC name is 4-fluoro-5-hydrazinyl-N-[2-(methylamino)-2-oxoethyl]-2-nitrobenzamide.

Molecular Properties

Compound Name4-fluoro-5-hydrazinyl-N-[2-(methylamino)-2-oxoethyl]-2-nitrobenzamide
PubChem CID62242120
Molecular FormulaC10H12FN5O4
Molecular Weight285.24 g/mol
Exact Mass285.09
IUPAC Name4-fluoro-5-hydrazinyl-N-[2-(methylamino)-2-oxoethyl]-2-nitrobenzamide
SMILESCNC(=O)CNC(=O)c1cc(NN)c(F)cc1[N+](=O)[O-]
InChIInChI=1S/C10H12FN5O4/c1-13-9(17)4-14-10(18)5-2-7(15-12)6(11)3-8(5)16(19)20/h2-3,15H,4,12H2,1H3,(H,13,17)(H,14,18)
InChIKeyUGGNQEDCDYGQAJ-UHFFFAOYSA-N
XLogP-0.50
TPSA139.39 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.24
LogP ≤ 5-0.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', '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

N-[2-(ethylamino)-2-oxoethyl]-4-fluoro-5-hydrazinyl-2-nitrobenzamide
CID 62241216
N-(4-amino-4-oxobutyl)-4-fluoro-5-hydrazinyl-2-nitrobenzamide
CID 62236532
4-fluoro-5-hydrazinyl-N-(3-methylpentan-3-yl)-2-nitrobenzamide
CID 106331390
N-(cyclopentylmethyl)-4-fluoro-5-hydrazinyl-2-nitrobenzamide
CID 62243387
N-butan-2-yl-4-fluoro-5-hydrazinyl-2-nitrobenzamide
CID 62236101
N-(2-amino-2-oxoethyl)-4-fluoro-2-nitro-5-(propylamino)benzamide
CID 62172559
4-fluoro-N-(furan-2-ylmethyl)-5-hydrazinyl-2-nitrobenzamide
CID 62236849
N-(3-amino-3-oxopropyl)-4-fluoro-5-(methylamino)-2-nitrobenzamide
CID 62168697
4-fluoro-5-hydrazinyl-N-(1H-imidazol-2-ylmethyl)-2-nitrobenzamide
CID 64523214
2-amino-6-fluoro-N-[2-(methylamino)-2-oxoethyl]-3-nitrobenzamide
CID 107122948
4-fluoro-5-(methylamino)-2-nitro-N-(2,2,2-trifluoroethyl)benzamide
CID 62170865
2,6-difluoro-N-[2-(methylamino)-2-oxoethyl]-3-nitrobenzamide
CID 113252599

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-5-hydrazinyl-N-[2-(methylamino)-2-oxoethyl]-2-nitrobenzamide?
The IUPAC name of 4-fluoro-5-hydrazinyl-N-[2-(methylamino)-2-oxoethyl]-2-nitrobenzamide (CID 62242120) is 4-fluoro-5-hydrazinyl-N-[2-(methylamino)-2-oxoethyl]-2-nitrobenzamide.
What is the SMILES notation for 4-fluoro-5-hydrazinyl-N-[2-(methylamino)-2-oxoethyl]-2-nitrobenzamide?
The canonical SMILES for 4-fluoro-5-hydrazinyl-N-[2-(methylamino)-2-oxoethyl]-2-nitrobenzamide is CNC(=O)CNC(=O)c1cc(NN)c(F)cc1[N+](=O)[O-].
What is the InChIKey of 4-fluoro-5-hydrazinyl-N-[2-(methylamino)-2-oxoethyl]-2-nitrobenzamide?
The InChIKey is UGGNQEDCDYGQAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN5O4/c1-13-9(17)4-14-10(18)5-2-7(15-12)6(11)3-8(5)16(19)20/h2-3,15H,4,12H2,1H3,(H,13,17)(H,14,18).
What are the key properties of 4-fluoro-5-hydrazinyl-N-[2-(methylamino)-2-oxoethyl]-2-nitrobenzamide?
4-fluoro-5-hydrazinyl-N-[2-(methylamino)-2-oxoethyl]-2-nitrobenzamide has a molecular weight of 285.24 g/mol, XLogP of -0.50, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-5-hydrazinyl-N-[2-(methylamino)-2-oxoethyl]-2-nitrobenzamide is sourced from PubChem (CID 62242120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).