3,4-dimethoxy-N'-[2-nitro-4-(trifluoromethyl)phenyl]benzohydrazide

C16H14F3N3O5 — CID 29409295

IUPAC3,4-dimethoxy-N'-[2-nitro-4-(trifluoromethyl)phenyl]benzohydrazide
SMILESCOc1ccc(C(=O)NNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1OC
InChIInChI=1S/C16H14F3N3O5/c1-26-13-6-3-9(7-14(13)27-2)15(23)21-20-11-5-4-10(16(17,18)19)8-12(11)22(24)25/h3-8,20H,1-2H3,(H,21,23)
InChIKeyYHIUWZRLIHXYCM-UHFFFAOYSA-N
MW385.30 g/mol
LogP3.39
Rot. Bonds6

About 3,4-dimethoxy-N'-[2-nitro-4-(trifluoromethyl)phenyl]benzohydrazide

3,4-dimethoxy-N'-[2-nitro-4-(trifluoromethyl)phenyl]benzohydrazide (PubChem CID 29409295) has the molecular formula C16H14F3N3O5 and a molecular weight of 385.30 g/mol. Its IUPAC name is 3,4-dimethoxy-N'-[2-nitro-4-(trifluoromethyl)phenyl]benzohydrazide.

Molecular Properties

Compound Name3,4-dimethoxy-N'-[2-nitro-4-(trifluoromethyl)phenyl]benzohydrazide
PubChem CID29409295
Molecular FormulaC16H14F3N3O5
Molecular Weight385.30 g/mol
Exact Mass385.09
IUPAC Name3,4-dimethoxy-N'-[2-nitro-4-(trifluoromethyl)phenyl]benzohydrazide
SMILESCOc1ccc(C(=O)NNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1OC
InChIInChI=1S/C16H14F3N3O5/c1-26-13-6-3-9(7-14(13)27-2)15(23)21-20-11-5-4-10(16(17,18)19)8-12(11)22(24)25/h3-8,20H,1-2H3,(H,21,23)
InChIKeyYHIUWZRLIHXYCM-UHFFFAOYSA-N
XLogP3.39
TPSA102.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.30
LogP ≤ 53.39
H-Bond Donors ≤ 52
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

4-methoxy-N'-[2-nitro-4-(trifluoromethyl)phenyl]-3-pyrrolidin-1-ylsulfonylbenzohydrazide
CID 29409098
3-(3,4-dimethoxyphenyl)-N'-[2-nitro-4-(trifluoromethyl)phenyl]propanehydrazide
CID 29408778
N'-[2-nitro-4-(trifluoromethyl)phenyl]-4-propan-2-ylbenzohydrazide
CID 29409169
2-(2-methoxyphenoxy)-N'-[2-nitro-4-(trifluoromethyl)phenyl]acetohydrazide
CID 29409274
N-[(E)-1-(3,4-dimethoxyphenyl)propylideneamino]-2-nitro-4-(trifluoromethyl)aniline
CID 18269247
N'-[2-nitro-4-(trifluoromethyl)phenyl]furan-3-carbohydrazide
CID 29409858
2-nitro-N'-[2-nitro-4-(trifluoromethyl)phenyl]benzohydrazide
CID 29409066
3-methoxy-N-(4-methoxyphenyl)-4-[2-nitro-4-(trifluoromethyl)phenoxy]benzamide
CID 1255593
4-(benzimidazol-1-yl)-N'-[2-nitro-4-(trifluoromethyl)phenyl]benzohydrazide
CID 29409619
3-methoxy-N-[2-[(4-methoxyphenyl)methoxy]-5-(trifluoromethyl)phenyl]-4-[2-nitro-4-(trifluoromethyl)phenoxy]benzamide
CID 16761442
N-[2-methyl-5-[[2-nitro-4-(trifluoromethyl)anilino]carbamoyl]phenyl]furan-2-carboxamide
CID 29409356
4-ethoxy-N-[3-methyl-1-[2-[2-nitro-4-(trifluoromethyl)phenyl]hydrazinyl]-1-oxobutan-2-yl]benzamide
CID 55349547

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N'-[2-nitro-4-(trifluoromethyl)phenyl]benzohydrazide?
The IUPAC name of 3,4-dimethoxy-N'-[2-nitro-4-(trifluoromethyl)phenyl]benzohydrazide (CID 29409295) is 3,4-dimethoxy-N'-[2-nitro-4-(trifluoromethyl)phenyl]benzohydrazide.
What is the SMILES notation for 3,4-dimethoxy-N'-[2-nitro-4-(trifluoromethyl)phenyl]benzohydrazide?
The canonical SMILES for 3,4-dimethoxy-N'-[2-nitro-4-(trifluoromethyl)phenyl]benzohydrazide is COc1ccc(C(=O)NNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1OC.
What is the InChIKey of 3,4-dimethoxy-N'-[2-nitro-4-(trifluoromethyl)phenyl]benzohydrazide?
The InChIKey is YHIUWZRLIHXYCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N3O5/c1-26-13-6-3-9(7-14(13)27-2)15(23)21-20-11-5-4-10(16(17,18)19)8-12(11)22(24)25/h3-8,20H,1-2H3,(H,21,23).
What are the key properties of 3,4-dimethoxy-N'-[2-nitro-4-(trifluoromethyl)phenyl]benzohydrazide?
3,4-dimethoxy-N'-[2-nitro-4-(trifluoromethyl)phenyl]benzohydrazide has a molecular weight of 385.30 g/mol, XLogP of 3.39, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N'-[2-nitro-4-(trifluoromethyl)phenyl]benzohydrazide is sourced from PubChem (CID 29409295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).