3-ethyl-N-methyl-2-[(E)-2-[4-(trifluoromethyl)furan-2-yl]ethenyl]aniline;formohydrazide

C17H20F3N3O2 — CID 144838375

IUPAC3-ethyl-N-methyl-2-[(E)-2-[4-(trifluoromethyl)furan-2-yl]ethenyl]aniline;formohydrazide
SMILESCCc1cccc(NC)c1/C=C/c1cc(C(F)(F)F)co1.NNC=O
InChIInChI=1S/C16H16F3NO.CH4N2O/c1-3-11-5-4-6-15(20-2)14(11)8-7-13-9-12(10-21-13)16(17,18)19;2-3-1-4/h4-10,20H,3H2,1-2H3;1H,2H2,(H,3,4)/b8-7+;
InChIKeyDLRWHCIFZKVIDY-USRGLUTNSA-N
MW355.36 g/mol
LogP3.68
Rot. Bonds5

About 3-ethyl-N-methyl-2-[(E)-2-[4-(trifluoromethyl)furan-2-yl]ethenyl]aniline;formohydrazide

3-ethyl-N-methyl-2-[(E)-2-[4-(trifluoromethyl)furan-2-yl]ethenyl]aniline;formohydrazide (PubChem CID 144838375) has the molecular formula C17H20F3N3O2 and a molecular weight of 355.36 g/mol. Its IUPAC name is 3-ethyl-N-methyl-2-[(E)-2-[4-(trifluoromethyl)furan-2-yl]ethenyl]aniline;formohydrazide.

Molecular Properties

Compound Name3-ethyl-N-methyl-2-[(E)-2-[4-(trifluoromethyl)furan-2-yl]ethenyl]aniline;formohydrazide
PubChem CID144838375
Molecular FormulaC17H20F3N3O2
Molecular Weight355.36 g/mol
Exact Mass355.15
IUPAC Name3-ethyl-N-methyl-2-[(E)-2-[4-(trifluoromethyl)furan-2-yl]ethenyl]aniline;formohydrazide
SMILESCCc1cccc(NC)c1/C=C/c1cc(C(F)(F)F)co1.NNC=O
InChIInChI=1S/C16H16F3NO.CH4N2O/c1-3-11-5-4-6-15(20-2)14(11)8-7-13-9-12(10-21-13)16(17,18)19;2-3-1-4/h4-10,20H,3H2,1-2H3;1H,2H2,(H,3,4)/b8-7+;
InChIKeyDLRWHCIFZKVIDY-USRGLUTNSA-N
XLogP3.68
TPSA80.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.36
LogP ≤ 53.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-methyl-2-[(E)-2-[4-(trifluoromethyl)furan-2-yl]ethenyl]aniline;formohydrazide?
The IUPAC name of 3-ethyl-N-methyl-2-[(E)-2-[4-(trifluoromethyl)furan-2-yl]ethenyl]aniline;formohydrazide (CID 144838375) is 3-ethyl-N-methyl-2-[(E)-2-[4-(trifluoromethyl)furan-2-yl]ethenyl]aniline;formohydrazide.
What is the SMILES notation for 3-ethyl-N-methyl-2-[(E)-2-[4-(trifluoromethyl)furan-2-yl]ethenyl]aniline;formohydrazide?
The canonical SMILES for 3-ethyl-N-methyl-2-[(E)-2-[4-(trifluoromethyl)furan-2-yl]ethenyl]aniline;formohydrazide is CCc1cccc(NC)c1/C=C/c1cc(C(F)(F)F)co1.NNC=O.
What is the InChIKey of 3-ethyl-N-methyl-2-[(E)-2-[4-(trifluoromethyl)furan-2-yl]ethenyl]aniline;formohydrazide?
The InChIKey is DLRWHCIFZKVIDY-USRGLUTNSA-N. The full InChI is InChI=1S/C16H16F3NO.CH4N2O/c1-3-11-5-4-6-15(20-2)14(11)8-7-13-9-12(10-21-13)16(17,18)19;2-3-1-4/h4-10,20H,3H2,1-2H3;1H,2H2,(H,3,4)/b8-7+;.
What are the key properties of 3-ethyl-N-methyl-2-[(E)-2-[4-(trifluoromethyl)furan-2-yl]ethenyl]aniline;formohydrazide?
3-ethyl-N-methyl-2-[(E)-2-[4-(trifluoromethyl)furan-2-yl]ethenyl]aniline;formohydrazide has a molecular weight of 355.36 g/mol, XLogP of 3.68, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-methyl-2-[(E)-2-[4-(trifluoromethyl)furan-2-yl]ethenyl]aniline;formohydrazide is sourced from PubChem (CID 144838375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).