2-(2-chloro-6-fluorophenyl)-N'-[2-nitro-4-(trifluoromethyl)phenyl]acetohydrazide

C15H10ClF4N3O3 — CID 29409225

IUPAC2-(2-chloro-6-fluorophenyl)-N'-[2-nitro-4-(trifluoromethyl)phenyl]acetohydrazide
SMILESO=C(Cc1c(F)cccc1Cl)NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-]
InChIInChI=1S/C15H10ClF4N3O3/c16-10-2-1-3-11(17)9(10)7-14(24)22-21-12-5-4-8(15(18,19)20)6-13(12)23(25)26/h1-6,21H,7H2,(H,22,24)
InChIKeyIOBJRYSIPGMVMZ-UHFFFAOYSA-N
MW391.71 g/mol
LogP4.09
Rot. Bonds5

About 2-(2-chloro-6-fluorophenyl)-N'-[2-nitro-4-(trifluoromethyl)phenyl]acetohydrazide

2-(2-chloro-6-fluorophenyl)-N'-[2-nitro-4-(trifluoromethyl)phenyl]acetohydrazide (PubChem CID 29409225) has the molecular formula C15H10ClF4N3O3 and a molecular weight of 391.71 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-N'-[2-nitro-4-(trifluoromethyl)phenyl]acetohydrazide.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-N'-[2-nitro-4-(trifluoromethyl)phenyl]acetohydrazide
PubChem CID29409225
Molecular FormulaC15H10ClF4N3O3
Molecular Weight391.71 g/mol
Exact Mass391.03
IUPAC Name2-(2-chloro-6-fluorophenyl)-N'-[2-nitro-4-(trifluoromethyl)phenyl]acetohydrazide
SMILESO=C(Cc1c(F)cccc1Cl)NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-]
InChIInChI=1S/C15H10ClF4N3O3/c16-10-2-1-3-11(17)9(10)7-14(24)22-21-12-5-4-8(15(18,19)20)6-13(12)23(25)26/h1-6,21H,7H2,(H,22,24)
InChIKeyIOBJRYSIPGMVMZ-UHFFFAOYSA-N
XLogP4.09
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.71
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

2-(3,5-dimethyl-1,2-oxazol-4-yl)-N'-[2-nitro-4-(trifluoromethyl)phenyl]acetohydrazide
CID 29409562
N-[4-[2-[2-[2-nitro-4-(trifluoromethyl)phenyl]hydrazinyl]-2-oxoethyl]phenyl]acetamide
CID 29409622
3-cyclopentyl-N'-[2-nitro-4-(trifluoromethyl)phenyl]propanehydrazide
CID 29409246
2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N'-[2-nitro-4-(trifluoromethyl)phenyl]acetohydrazide
CID 55794181
[2-(4-chloro-2-nitroanilino)-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate
CID 7718393
2-(2-chloro-6-fluorophenyl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 7962141
2-(2-methoxyphenoxy)-N'-[2-nitro-4-(trifluoromethyl)phenyl]acetohydrazide
CID 29409274
2-nitro-N'-[2-nitro-4-(trifluoromethyl)phenyl]benzohydrazide
CID 29409066
N-[2-[2-[2-nitro-4-(trifluoromethyl)phenyl]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide
CID 29409709
(2-chloro-6-fluorophenyl)methyl 4-(methylamino)-3-nitrobenzoate
CID 18274690
3-(4-cyanophenyl)-N'-[2-nitro-4-(trifluoromethyl)phenyl]propanehydrazide
CID 29409986
N'-[2-nitro-4-(trifluoromethyl)phenyl]-4-propan-2-ylbenzohydrazide
CID 29409169

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-N'-[2-nitro-4-(trifluoromethyl)phenyl]acetohydrazide?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-N'-[2-nitro-4-(trifluoromethyl)phenyl]acetohydrazide (CID 29409225) is 2-(2-chloro-6-fluorophenyl)-N'-[2-nitro-4-(trifluoromethyl)phenyl]acetohydrazide.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-N'-[2-nitro-4-(trifluoromethyl)phenyl]acetohydrazide?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-N'-[2-nitro-4-(trifluoromethyl)phenyl]acetohydrazide is O=C(Cc1c(F)cccc1Cl)NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-].
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-N'-[2-nitro-4-(trifluoromethyl)phenyl]acetohydrazide?
The InChIKey is IOBJRYSIPGMVMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClF4N3O3/c16-10-2-1-3-11(17)9(10)7-14(24)22-21-12-5-4-8(15(18,19)20)6-13(12)23(25)26/h1-6,21H,7H2,(H,22,24).
What are the key properties of 2-(2-chloro-6-fluorophenyl)-N'-[2-nitro-4-(trifluoromethyl)phenyl]acetohydrazide?
2-(2-chloro-6-fluorophenyl)-N'-[2-nitro-4-(trifluoromethyl)phenyl]acetohydrazide has a molecular weight of 391.71 g/mol, XLogP of 4.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-N'-[2-nitro-4-(trifluoromethyl)phenyl]acetohydrazide is sourced from PubChem (CID 29409225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).