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

C11H14FN5O4 — CID 62241216

IUPACN-[2-(ethylamino)-2-oxoethyl]-4-fluoro-5-hydrazinyl-2-nitrobenzamide
SMILESCCNC(=O)CNC(=O)c1cc(NN)c(F)cc1[N+](=O)[O-]
InChIInChI=1S/C11H14FN5O4/c1-2-14-10(18)5-15-11(19)6-3-8(16-13)7(12)4-9(6)17(20)21/h3-4,16H,2,5,13H2,1H3,(H,14,18)(H,15,19)
InChIKeyXEEWRZDJGYSOPN-UHFFFAOYSA-N
MW299.26 g/mol
LogP-0.11
Rot. Bonds6

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

N-[2-(ethylamino)-2-oxoethyl]-4-fluoro-5-hydrazinyl-2-nitrobenzamide (PubChem CID 62241216) has the molecular formula C11H14FN5O4 and a molecular weight of 299.26 g/mol. Its IUPAC name is N-[2-(ethylamino)-2-oxoethyl]-4-fluoro-5-hydrazinyl-2-nitrobenzamide.

Molecular Properties

Compound NameN-[2-(ethylamino)-2-oxoethyl]-4-fluoro-5-hydrazinyl-2-nitrobenzamide
PubChem CID62241216
Molecular FormulaC11H14FN5O4
Molecular Weight299.26 g/mol
Exact Mass299.10
IUPAC NameN-[2-(ethylamino)-2-oxoethyl]-4-fluoro-5-hydrazinyl-2-nitrobenzamide
SMILESCCNC(=O)CNC(=O)c1cc(NN)c(F)cc1[N+](=O)[O-]
InChIInChI=1S/C11H14FN5O4/c1-2-14-10(18)5-15-11(19)6-3-8(16-13)7(12)4-9(6)17(20)21/h3-4,16H,2,5,13H2,1H3,(H,14,18)(H,15,19)
InChIKeyXEEWRZDJGYSOPN-UHFFFAOYSA-N
XLogP-0.11
TPSA139.39 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.26
LogP ≤ 5-0.11
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

4-fluoro-5-hydrazinyl-N-[2-(methylamino)-2-oxoethyl]-2-nitrobenzamide
CID 62242120
4-fluoro-5-hydrazinyl-N-(3-methylpentan-3-yl)-2-nitrobenzamide
CID 106331390
N-(4-amino-4-oxobutyl)-4-fluoro-5-hydrazinyl-2-nitrobenzamide
CID 62236532
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
N-(cyclopentylmethyl)-4-fluoro-5-hydrazinyl-2-nitrobenzamide
CID 62243387
4-chloro-N-[2-(ethylamino)-2-oxoethyl]-2-nitrobenzamide
CID 9224325
N-[2-(ethylamino)-2-oxoethyl]-6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 9489366
N-cyclopropyl-N-ethyl-4-fluoro-5-hydrazinyl-2-nitrobenzamide
CID 62242455
4-fluoro-N-(furan-2-ylmethyl)-5-hydrazinyl-2-nitrobenzamide
CID 62236849
4-fluoro-5-hydrazinyl-N-(1H-imidazol-2-ylmethyl)-2-nitrobenzamide
CID 64523214
(4-fluoro-5-hydrazinyl-2-nitrophenyl)-(4-methylpiperazin-1-yl)methanone
CID 62238122

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylamino)-2-oxoethyl]-4-fluoro-5-hydrazinyl-2-nitrobenzamide?
The IUPAC name of N-[2-(ethylamino)-2-oxoethyl]-4-fluoro-5-hydrazinyl-2-nitrobenzamide (CID 62241216) is N-[2-(ethylamino)-2-oxoethyl]-4-fluoro-5-hydrazinyl-2-nitrobenzamide.
What is the SMILES notation for N-[2-(ethylamino)-2-oxoethyl]-4-fluoro-5-hydrazinyl-2-nitrobenzamide?
The canonical SMILES for N-[2-(ethylamino)-2-oxoethyl]-4-fluoro-5-hydrazinyl-2-nitrobenzamide is CCNC(=O)CNC(=O)c1cc(NN)c(F)cc1[N+](=O)[O-].
What is the InChIKey of N-[2-(ethylamino)-2-oxoethyl]-4-fluoro-5-hydrazinyl-2-nitrobenzamide?
The InChIKey is XEEWRZDJGYSOPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN5O4/c1-2-14-10(18)5-15-11(19)6-3-8(16-13)7(12)4-9(6)17(20)21/h3-4,16H,2,5,13H2,1H3,(H,14,18)(H,15,19).
What are the key properties of N-[2-(ethylamino)-2-oxoethyl]-4-fluoro-5-hydrazinyl-2-nitrobenzamide?
N-[2-(ethylamino)-2-oxoethyl]-4-fluoro-5-hydrazinyl-2-nitrobenzamide has a molecular weight of 299.26 g/mol, XLogP of -0.11, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylamino)-2-oxoethyl]-4-fluoro-5-hydrazinyl-2-nitrobenzamide is sourced from PubChem (CID 62241216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).