N-cyclopropyl-N-ethyl-4-fluoro-5-hydrazinyl-2-nitrobenzamide

C12H15FN4O3 — CID 62242455

IUPACN-cyclopropyl-N-ethyl-4-fluoro-5-hydrazinyl-2-nitrobenzamide
SMILESCCN(C(=O)c1cc(NN)c(F)cc1[N+](=O)[O-])C1CC1
InChIInChI=1S/C12H15FN4O3/c1-2-16(7-3-4-7)12(18)8-5-10(15-14)9(13)6-11(8)17(19)20/h5-7,15H,2-4,14H2,1H3
InChIKeyQRCVBFZEBFVUFV-UHFFFAOYSA-N
MW282.28 g/mol
LogP1.64
Rot. Bonds5

About N-cyclopropyl-N-ethyl-4-fluoro-5-hydrazinyl-2-nitrobenzamide

N-cyclopropyl-N-ethyl-4-fluoro-5-hydrazinyl-2-nitrobenzamide (PubChem CID 62242455) has the molecular formula C12H15FN4O3 and a molecular weight of 282.28 g/mol. Its IUPAC name is N-cyclopropyl-N-ethyl-4-fluoro-5-hydrazinyl-2-nitrobenzamide.

Molecular Properties

Compound NameN-cyclopropyl-N-ethyl-4-fluoro-5-hydrazinyl-2-nitrobenzamide
PubChem CID62242455
Molecular FormulaC12H15FN4O3
Molecular Weight282.28 g/mol
Exact Mass282.11
IUPAC NameN-cyclopropyl-N-ethyl-4-fluoro-5-hydrazinyl-2-nitrobenzamide
SMILESCCN(C(=O)c1cc(NN)c(F)cc1[N+](=O)[O-])C1CC1
InChIInChI=1S/C12H15FN4O3/c1-2-16(7-3-4-7)12(18)8-5-10(15-14)9(13)6-11(8)17(19)20/h5-7,15H,2-4,14H2,1H3
InChIKeyQRCVBFZEBFVUFV-UHFFFAOYSA-N
XLogP1.64
TPSA101.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.28
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-cyclopropyl-4-fluoro-N-methyl-5-(methylamino)-2-nitrobenzamide
CID 62168087
N-(cyclopentylmethyl)-4-fluoro-5-hydrazinyl-2-nitrobenzamide
CID 62243387
N-cyclopentyl-N-ethyl-5-hydrazinyl-2-nitrobenzamide
CID 62242500
N-[2-(ethylamino)-2-oxoethyl]-4-fluoro-5-hydrazinyl-2-nitrobenzamide
CID 62241216
4-fluoro-5-hydrazinyl-N-(3-methylpentan-3-yl)-2-nitrobenzamide
CID 106331390
N-cyclopropyl-N-ethyl-2-fluoro-5-nitrobenzamide
CID 43377587
N-butan-2-yl-4-fluoro-5-hydrazinyl-2-nitrobenzamide
CID 62236101
4-fluoro-5-hydrazinyl-N-[2-(methylamino)-2-oxoethyl]-2-nitrobenzamide
CID 62242120
N-cyclopropyl-N-ethyl-5-(ethylamino)-2-nitrobenzamide
CID 62169978
4-fluoro-5-hydrazinyl-N-(3-methylcyclopentyl)-2-nitrobenzamide
CID 114541023
2-amino-N-cyclopropyl-N-ethyl-6-fluoro-3-nitrobenzamide
CID 107122923
(4-fluoro-5-hydrazinyl-2-nitrophenyl)-(4-methylpiperazin-1-yl)methanone
CID 62238122

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-ethyl-4-fluoro-5-hydrazinyl-2-nitrobenzamide?
The IUPAC name of N-cyclopropyl-N-ethyl-4-fluoro-5-hydrazinyl-2-nitrobenzamide (CID 62242455) is N-cyclopropyl-N-ethyl-4-fluoro-5-hydrazinyl-2-nitrobenzamide.
What is the SMILES notation for N-cyclopropyl-N-ethyl-4-fluoro-5-hydrazinyl-2-nitrobenzamide?
The canonical SMILES for N-cyclopropyl-N-ethyl-4-fluoro-5-hydrazinyl-2-nitrobenzamide is CCN(C(=O)c1cc(NN)c(F)cc1[N+](=O)[O-])C1CC1.
What is the InChIKey of N-cyclopropyl-N-ethyl-4-fluoro-5-hydrazinyl-2-nitrobenzamide?
The InChIKey is QRCVBFZEBFVUFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN4O3/c1-2-16(7-3-4-7)12(18)8-5-10(15-14)9(13)6-11(8)17(19)20/h5-7,15H,2-4,14H2,1H3.
What are the key properties of N-cyclopropyl-N-ethyl-4-fluoro-5-hydrazinyl-2-nitrobenzamide?
N-cyclopropyl-N-ethyl-4-fluoro-5-hydrazinyl-2-nitrobenzamide has a molecular weight of 282.28 g/mol, XLogP of 1.64, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-ethyl-4-fluoro-5-hydrazinyl-2-nitrobenzamide is sourced from PubChem (CID 62242455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).