N'-methyl-N'-[2-nitro-4-(trifluoromethyl)phenyl]acetohydrazide

C10H10F3N3O3 — CID 2797562

IUPACN'-methyl-N'-[2-nitro-4-(trifluoromethyl)phenyl]acetohydrazide
SMILESCC(=O)NN(C)c1ccc(C(F)(F)F)cc1[N+](=O)[O-]
InChIInChI=1S/C10H10F3N3O3/c1-6(17)14-15(2)8-4-3-7(10(11,12)13)5-9(8)16(18)19/h3-5H,1-2H3,(H,14,17)
InChIKeyIGVUCBLNYDMPSU-UHFFFAOYSA-N
MW277.20 g/mol
LogP2.10
Rot. Bonds3

About N'-methyl-N'-[2-nitro-4-(trifluoromethyl)phenyl]acetohydrazide

N'-methyl-N'-[2-nitro-4-(trifluoromethyl)phenyl]acetohydrazide (PubChem CID 2797562) has the molecular formula C10H10F3N3O3 and a molecular weight of 277.20 g/mol. Its IUPAC name is N'-methyl-N'-[2-nitro-4-(trifluoromethyl)phenyl]acetohydrazide.

Molecular Properties

Compound NameN'-methyl-N'-[2-nitro-4-(trifluoromethyl)phenyl]acetohydrazide
PubChem CID2797562
Molecular FormulaC10H10F3N3O3
Molecular Weight277.20 g/mol
Exact Mass277.07
IUPAC NameN'-methyl-N'-[2-nitro-4-(trifluoromethyl)phenyl]acetohydrazide
SMILESCC(=O)NN(C)c1ccc(C(F)(F)F)cc1[N+](=O)[O-]
InChIInChI=1S/C10H10F3N3O3/c1-6(17)14-15(2)8-4-3-7(10(11,12)13)5-9(8)16(18)19/h3-5H,1-2H3,(H,14,17)
InChIKeyIGVUCBLNYDMPSU-UHFFFAOYSA-N
XLogP2.10
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.20
LogP ≤ 52.10
H-Bond Donors ≤ 51
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

1-[2-Nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 2883112
Acetamide, N-(4-methyl-2-nitrophenyl)-
CID 69162
N1-(2-Nitro-4-(trifluoromethyl)phenyl)-1,2-ethanediamine
CID 2728280
Acetamide, N-(4-butyl-2-nitrophenyl)-
CID 77228
Benzenamine, N-ethyl-2-nitro-4-(trifluoromethyl)-
CID 121682
2-[2-nitro-4-(trifluoromethyl)anilino]-N-propan-2-ylacetamide
CID 4884124
N-[2-nitro-4-(trifluoromethyl)phenyl]acetamide
CID 2779354
2-nitro-N-propyl-4-(trifluoromethyl)aniline
CID 7123352
N,N-diethyl-2-[2-nitro-4-(trifluoromethyl)anilino]acetamide
CID 2915135
1-[4-[2-Nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone
CID 2798583
N'-(2-Nitro-4-(trifluoromethyl)phenyl)acetohydrazide
CID 3124560
Benzenamine, N-methyl-2-nitro-4-(trifluoromethyl)-
CID 88405

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-[2-nitro-4-(trifluoromethyl)phenyl]acetohydrazide?
The IUPAC name of N'-methyl-N'-[2-nitro-4-(trifluoromethyl)phenyl]acetohydrazide (CID 2797562) is N'-methyl-N'-[2-nitro-4-(trifluoromethyl)phenyl]acetohydrazide.
What is the SMILES notation for N'-methyl-N'-[2-nitro-4-(trifluoromethyl)phenyl]acetohydrazide?
The canonical SMILES for N'-methyl-N'-[2-nitro-4-(trifluoromethyl)phenyl]acetohydrazide is CC(=O)NN(C)c1ccc(C(F)(F)F)cc1[N+](=O)[O-].
What is the InChIKey of N'-methyl-N'-[2-nitro-4-(trifluoromethyl)phenyl]acetohydrazide?
The InChIKey is IGVUCBLNYDMPSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N3O3/c1-6(17)14-15(2)8-4-3-7(10(11,12)13)5-9(8)16(18)19/h3-5H,1-2H3,(H,14,17).
What are the key properties of N'-methyl-N'-[2-nitro-4-(trifluoromethyl)phenyl]acetohydrazide?
N'-methyl-N'-[2-nitro-4-(trifluoromethyl)phenyl]acetohydrazide has a molecular weight of 277.20 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-[2-nitro-4-(trifluoromethyl)phenyl]acetohydrazide is sourced from PubChem (CID 2797562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).