N-(2,3-difluorophenyl)-2-hydrazinylidene-1-methyl-4-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide

C19H17F5N4O — CID 153493495

IUPACN-(2,3-difluorophenyl)-2-hydrazinylidene-1-methyl-4-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
SMILESCN1CC(c2ccc(C(F)(F)F)cc2)C(C(=O)Nc2cccc(F)c2F)C1=NN
InChIInChI=1S/C19H17F5N4O/c1-28-9-12(10-5-7-11(8-6-10)19(22,23)24)15(17(28)27-25)18(29)26-14-4-2-3-13(20)16(14)21/h2-8,12,15H,9,25H2,1H3,(H,26,29)
InChIKeyFULDZNMKDGALOH-UHFFFAOYSA-N
MW412.36 g/mol
LogP3.54
Rot. Bonds3

About N-(2,3-difluorophenyl)-2-hydrazinylidene-1-methyl-4-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide

N-(2,3-difluorophenyl)-2-hydrazinylidene-1-methyl-4-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide (PubChem CID 153493495) has the molecular formula C19H17F5N4O and a molecular weight of 412.36 g/mol. Its IUPAC name is N-(2,3-difluorophenyl)-2-hydrazinylidene-1-methyl-4-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2,3-difluorophenyl)-2-hydrazinylidene-1-methyl-4-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
PubChem CID153493495
Molecular FormulaC19H17F5N4O
Molecular Weight412.36 g/mol
Exact Mass412.13
IUPAC NameN-(2,3-difluorophenyl)-2-hydrazinylidene-1-methyl-4-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
SMILESCN1CC(c2ccc(C(F)(F)F)cc2)C(C(=O)Nc2cccc(F)c2F)C1=NN
InChIInChI=1S/C19H17F5N4O/c1-28-9-12(10-5-7-11(8-6-10)19(22,23)24)15(17(28)27-25)18(29)26-14-4-2-3-13(20)16(14)21/h2-8,12,15H,9,25H2,1H3,(H,26,29)
InChIKeyFULDZNMKDGALOH-UHFFFAOYSA-N
XLogP3.54
TPSA70.72 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.36
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', '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 N-(2,3-difluorophenyl)-2-hydrazinylidene-1-methyl-4-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide?
The IUPAC name of N-(2,3-difluorophenyl)-2-hydrazinylidene-1-methyl-4-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide (CID 153493495) is N-(2,3-difluorophenyl)-2-hydrazinylidene-1-methyl-4-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2,3-difluorophenyl)-2-hydrazinylidene-1-methyl-4-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide?
The canonical SMILES for N-(2,3-difluorophenyl)-2-hydrazinylidene-1-methyl-4-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide is CN1CC(c2ccc(C(F)(F)F)cc2)C(C(=O)Nc2cccc(F)c2F)C1=NN.
What is the InChIKey of N-(2,3-difluorophenyl)-2-hydrazinylidene-1-methyl-4-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide?
The InChIKey is FULDZNMKDGALOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F5N4O/c1-28-9-12(10-5-7-11(8-6-10)19(22,23)24)15(17(28)27-25)18(29)26-14-4-2-3-13(20)16(14)21/h2-8,12,15H,9,25H2,1H3,(H,26,29).
What are the key properties of N-(2,3-difluorophenyl)-2-hydrazinylidene-1-methyl-4-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide?
N-(2,3-difluorophenyl)-2-hydrazinylidene-1-methyl-4-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide has a molecular weight of 412.36 g/mol, XLogP of 3.54, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-difluorophenyl)-2-hydrazinylidene-1-methyl-4-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 153493495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).