4-(cyclopropylamino)-N'-[2-(2-fluorophenoxy)acetyl]-3-nitrobenzohydrazide

C18H17FN4O5 — CID 9158207

IUPAC4-(cyclopropylamino)-N'-[2-(2-fluorophenoxy)acetyl]-3-nitrobenzohydrazide
SMILESO=C(COc1ccccc1F)NNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1
InChIInChI=1S/C18H17FN4O5/c19-13-3-1-2-4-16(13)28-10-17(24)21-22-18(25)11-5-8-14(20-12-6-7-12)15(9-11)23(26)27/h1-5,8-9,12,20H,6-7,10H2,(H,21,24)(H,22,25)
InChIKeyQVEAJODQAIXHME-UHFFFAOYSA-N
MW388.36 g/mol
LogP2.15
Rot. Bonds7

About 4-(cyclopropylamino)-N'-[2-(2-fluorophenoxy)acetyl]-3-nitrobenzohydrazide

4-(cyclopropylamino)-N'-[2-(2-fluorophenoxy)acetyl]-3-nitrobenzohydrazide (PubChem CID 9158207) has the molecular formula C18H17FN4O5 and a molecular weight of 388.36 g/mol. Its IUPAC name is 4-(cyclopropylamino)-N'-[2-(2-fluorophenoxy)acetyl]-3-nitrobenzohydrazide.

Molecular Properties

Compound Name4-(cyclopropylamino)-N'-[2-(2-fluorophenoxy)acetyl]-3-nitrobenzohydrazide
PubChem CID9158207
Molecular FormulaC18H17FN4O5
Molecular Weight388.36 g/mol
Exact Mass388.12
IUPAC Name4-(cyclopropylamino)-N'-[2-(2-fluorophenoxy)acetyl]-3-nitrobenzohydrazide
SMILESO=C(COc1ccccc1F)NNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1
InChIInChI=1S/C18H17FN4O5/c19-13-3-1-2-4-16(13)28-10-17(24)21-22-18(25)11-5-8-14(20-12-6-7-12)15(9-11)23(26)27/h1-5,8-9,12,20H,6-7,10H2,(H,21,24)(H,22,25)
InChIKeyQVEAJODQAIXHME-UHFFFAOYSA-N
XLogP2.15
TPSA122.60 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.36
LogP ≤ 52.15
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

N'-[2-(2-fluorophenoxy)acetyl]-3-nitrobenzohydrazide
CID 7434007
4-(cyclopropylamino)-N'-(4-ethoxybenzoyl)-3-nitrobenzohydrazide
CID 9160811
4-(methylamino)-N'-[2-(2-methylphenoxy)acetyl]-3-nitrobenzohydrazide
CID 9157370
4-fluoro-N'-[2-(2-nitrophenoxy)acetyl]benzohydrazide
CID 7946066
4-(cyclopropylamino)-N-(4-fluorophenyl)-3-nitrobenzamide
CID 7892893
4-(cyclopropylamino)-N'-[2-(2,4-dimethylanilino)acetyl]-3-nitrobenzohydrazide
CID 9432237
[4-(cyclopropylamino)-3-nitrophenyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 26590612
N-cyclohexyl-4-(cyclohexylamino)-3-nitrobenzamide
CID 2959407
[2-[2-(4-nitrobenzoyl)hydrazinyl]-2-oxoethyl] 2-(2-fluorophenoxy)acetate
CID 7842173
4-(cyclopropylamino)-N-(2-fluoro-5-nitrophenyl)-3-nitrobenzamide
CID 55348491
4-(cyclopropylamino)-3-nitro-N-pyridin-2-ylbenzamide
CID 17405597
4-(cyclopropylamino)-3-nitro-N-(3-phenylprop-2-ynyl)benzamide
CID 51332433

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylamino)-N'-[2-(2-fluorophenoxy)acetyl]-3-nitrobenzohydrazide?
The IUPAC name of 4-(cyclopropylamino)-N'-[2-(2-fluorophenoxy)acetyl]-3-nitrobenzohydrazide (CID 9158207) is 4-(cyclopropylamino)-N'-[2-(2-fluorophenoxy)acetyl]-3-nitrobenzohydrazide.
What is the SMILES notation for 4-(cyclopropylamino)-N'-[2-(2-fluorophenoxy)acetyl]-3-nitrobenzohydrazide?
The canonical SMILES for 4-(cyclopropylamino)-N'-[2-(2-fluorophenoxy)acetyl]-3-nitrobenzohydrazide is O=C(COc1ccccc1F)NNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1.
What is the InChIKey of 4-(cyclopropylamino)-N'-[2-(2-fluorophenoxy)acetyl]-3-nitrobenzohydrazide?
The InChIKey is QVEAJODQAIXHME-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O5/c19-13-3-1-2-4-16(13)28-10-17(24)21-22-18(25)11-5-8-14(20-12-6-7-12)15(9-11)23(26)27/h1-5,8-9,12,20H,6-7,10H2,(H,21,24)(H,22,25).
What are the key properties of 4-(cyclopropylamino)-N'-[2-(2-fluorophenoxy)acetyl]-3-nitrobenzohydrazide?
4-(cyclopropylamino)-N'-[2-(2-fluorophenoxy)acetyl]-3-nitrobenzohydrazide has a molecular weight of 388.36 g/mol, XLogP of 2.15, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylamino)-N'-[2-(2-fluorophenoxy)acetyl]-3-nitrobenzohydrazide is sourced from PubChem (CID 9158207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).