4-(3-fluorophenyl)-N'-(2-nitrophenyl)oxane-4-carbohydrazide

C18H18FN3O4 — CID 71886339

IUPAC4-(3-fluorophenyl)-N'-(2-nitrophenyl)oxane-4-carbohydrazide
SMILESO=C(NNc1ccccc1[N+](=O)[O-])C1(c2cccc(F)c2)CCOCC1
InChIInChI=1S/C18H18FN3O4/c19-14-5-3-4-13(12-14)18(8-10-26-11-9-18)17(23)21-20-15-6-1-2-7-16(15)22(24)25/h1-7,12,20H,8-11H2,(H,21,23)
InChIKeyWGCKVVSGXOHHRM-UHFFFAOYSA-N
MW359.36 g/mol
LogP2.93
Rot. Bonds5

About 4-(3-fluorophenyl)-N'-(2-nitrophenyl)oxane-4-carbohydrazide

4-(3-fluorophenyl)-N'-(2-nitrophenyl)oxane-4-carbohydrazide (PubChem CID 71886339) has the molecular formula C18H18FN3O4 and a molecular weight of 359.36 g/mol. Its IUPAC name is 4-(3-fluorophenyl)-N'-(2-nitrophenyl)oxane-4-carbohydrazide.

Molecular Properties

Compound Name4-(3-fluorophenyl)-N'-(2-nitrophenyl)oxane-4-carbohydrazide
PubChem CID71886339
Molecular FormulaC18H18FN3O4
Molecular Weight359.36 g/mol
Exact Mass359.13
IUPAC Name4-(3-fluorophenyl)-N'-(2-nitrophenyl)oxane-4-carbohydrazide
SMILESO=C(NNc1ccccc1[N+](=O)[O-])C1(c2cccc(F)c2)CCOCC1
InChIInChI=1S/C18H18FN3O4/c19-14-5-3-4-13(12-14)18(8-10-26-11-9-18)17(23)21-20-15-6-1-2-7-16(15)22(24)25/h1-7,12,20H,8-11H2,(H,21,23)
InChIKeyWGCKVVSGXOHHRM-UHFFFAOYSA-N
XLogP2.93
TPSA93.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.36
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

4-(3-fluorophenyl)-N'-(2-methylbutanoyl)oxane-4-carbohydrazide
CID 56807132
4-(3-fluorophenyl)-N-[(1S)-2-hydroxy-1-phenylethyl]oxane-4-carboxamide
CID 110001666
N-[[1-(2-chlorophenyl)cyclopropyl]methyl]-4-(3-fluorophenyl)oxane-4-carboxamide
CID 46977992
N-(2-nitrophenyl)-1-phenylcyclopentane-1-carboxamide
CID 2877363
N-(2-methyl-3-nitrophenyl)-1-phenylcyclopropane-1-carboxamide
CID 43025525
4-(3-fluorophenyl)-N-quinolin-3-yloxane-4-carboxamide
CID 51125642
N'-ethyl-4-(3-fluorophenyl)-N'-(2-hydroxyethyl)oxane-4-carbohydrazide
CID 127266166
N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-2-nitrobenzamide
CID 27450099
N'-(2-nitrophenyl)benzohydrazide
CID 3718054
1-(3-fluorophenyl)-N-(2-phenylpropan-2-yl)cyclopropane-1-carboxamide
CID 139815337
4-(3-fluorophenyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]oxane-4-carboxamide
CID 60582725
[4-(3-fluorophenyl)oxan-4-yl]-[(5S)-2-oxa-7-azaspiro[4.4]nonan-7-yl]methanone
CID 97077235

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenyl)-N'-(2-nitrophenyl)oxane-4-carbohydrazide?
The IUPAC name of 4-(3-fluorophenyl)-N'-(2-nitrophenyl)oxane-4-carbohydrazide (CID 71886339) is 4-(3-fluorophenyl)-N'-(2-nitrophenyl)oxane-4-carbohydrazide.
What is the SMILES notation for 4-(3-fluorophenyl)-N'-(2-nitrophenyl)oxane-4-carbohydrazide?
The canonical SMILES for 4-(3-fluorophenyl)-N'-(2-nitrophenyl)oxane-4-carbohydrazide is O=C(NNc1ccccc1[N+](=O)[O-])C1(c2cccc(F)c2)CCOCC1.
What is the InChIKey of 4-(3-fluorophenyl)-N'-(2-nitrophenyl)oxane-4-carbohydrazide?
The InChIKey is WGCKVVSGXOHHRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O4/c19-14-5-3-4-13(12-14)18(8-10-26-11-9-18)17(23)21-20-15-6-1-2-7-16(15)22(24)25/h1-7,12,20H,8-11H2,(H,21,23).
What are the key properties of 4-(3-fluorophenyl)-N'-(2-nitrophenyl)oxane-4-carbohydrazide?
4-(3-fluorophenyl)-N'-(2-nitrophenyl)oxane-4-carbohydrazide has a molecular weight of 359.36 g/mol, XLogP of 2.93, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenyl)-N'-(2-nitrophenyl)oxane-4-carbohydrazide is sourced from PubChem (CID 71886339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).