3-(3,4-dimethoxyphenyl)-N'-[2-nitro-4-(trifluoromethyl)phenyl]propanehydrazide

C18H18F3N3O5 — CID 29408778

IUPAC3-(3,4-dimethoxyphenyl)-N'-[2-nitro-4-(trifluoromethyl)phenyl]propanehydrazide
SMILESCOc1ccc(CCC(=O)NNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1OC
InChIInChI=1S/C18H18F3N3O5/c1-28-15-7-3-11(9-16(15)29-2)4-8-17(25)23-22-13-6-5-12(18(19,20)21)10-14(13)24(26)27/h3,5-7,9-10,22H,4,8H2,1-2H3,(H,23,25)
InChIKeyZFIMYNSFDDHMQU-UHFFFAOYSA-N
MW413.35 g/mol
LogP3.71
Rot. Bonds8

About 3-(3,4-dimethoxyphenyl)-N'-[2-nitro-4-(trifluoromethyl)phenyl]propanehydrazide

3-(3,4-dimethoxyphenyl)-N'-[2-nitro-4-(trifluoromethyl)phenyl]propanehydrazide (PubChem CID 29408778) has the molecular formula C18H18F3N3O5 and a molecular weight of 413.35 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-N'-[2-nitro-4-(trifluoromethyl)phenyl]propanehydrazide.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-N'-[2-nitro-4-(trifluoromethyl)phenyl]propanehydrazide
PubChem CID29408778
Molecular FormulaC18H18F3N3O5
Molecular Weight413.35 g/mol
Exact Mass413.12
IUPAC Name3-(3,4-dimethoxyphenyl)-N'-[2-nitro-4-(trifluoromethyl)phenyl]propanehydrazide
SMILESCOc1ccc(CCC(=O)NNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1OC
InChIInChI=1S/C18H18F3N3O5/c1-28-15-7-3-11(9-16(15)29-2)4-8-17(25)23-22-13-6-5-12(18(19,20)21)10-14(13)24(26)27/h3,5-7,9-10,22H,4,8H2,1-2H3,(H,23,25)
InChIKeyZFIMYNSFDDHMQU-UHFFFAOYSA-N
XLogP3.71
TPSA102.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.35
LogP ≤ 53.71
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'}

Analyze 3-(3,4-dimethoxyphenyl)-N'-[2-nitro-4-(trifluoromethyl)phenyl]propanehydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-methoxyphenoxy)-N'-[2-nitro-4-(trifluoromethyl)phenyl]acetohydrazide
CID 29409274
3,4-dimethoxy-N'-[2-nitro-4-(trifluoromethyl)phenyl]benzohydrazide
CID 29409295
3-(4-cyanophenyl)-N'-[2-nitro-4-(trifluoromethyl)phenyl]propanehydrazide
CID 29409986
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
4-(2,5-dimethylthiophen-3-yl)-N'-[2-nitro-4-(trifluoromethyl)phenyl]-4-oxobutanehydrazide
CID 29409912
N-[(E)-1-(3,4-dimethoxyphenyl)propylideneamino]-2-nitro-4-(trifluoromethyl)aniline
CID 18269247
3-(3,4-dimethoxyphenyl)-N-[2-(2-nitroanilino)ethyl]propanamide
CID 9278604
[2-[2-nitro-4-(trifluoromethyl)anilino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate
CID 8011903
methyl 2-[2-nitro-4-(trifluoromethyl)anilino]acetate
CID 2914645
4-[[2-methoxy-4-[(Z)-[[2-nitro-4-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenoxy]methyl]benzoic acid
CID 126115288
3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N'-[2-nitro-4-(trifluoromethyl)phenyl]propanehydrazide
CID 29409962

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-N'-[2-nitro-4-(trifluoromethyl)phenyl]propanehydrazide?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-N'-[2-nitro-4-(trifluoromethyl)phenyl]propanehydrazide (CID 29408778) is 3-(3,4-dimethoxyphenyl)-N'-[2-nitro-4-(trifluoromethyl)phenyl]propanehydrazide.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-N'-[2-nitro-4-(trifluoromethyl)phenyl]propanehydrazide?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-N'-[2-nitro-4-(trifluoromethyl)phenyl]propanehydrazide is COc1ccc(CCC(=O)NNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1OC.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-N'-[2-nitro-4-(trifluoromethyl)phenyl]propanehydrazide?
The InChIKey is ZFIMYNSFDDHMQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N3O5/c1-28-15-7-3-11(9-16(15)29-2)4-8-17(25)23-22-13-6-5-12(18(19,20)21)10-14(13)24(26)27/h3,5-7,9-10,22H,4,8H2,1-2H3,(H,23,25).
What are the key properties of 3-(3,4-dimethoxyphenyl)-N'-[2-nitro-4-(trifluoromethyl)phenyl]propanehydrazide?
3-(3,4-dimethoxyphenyl)-N'-[2-nitro-4-(trifluoromethyl)phenyl]propanehydrazide has a molecular weight of 413.35 g/mol, XLogP of 3.71, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-N'-[2-nitro-4-(trifluoromethyl)phenyl]propanehydrazide is sourced from PubChem (CID 29408778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).