N-amino-N-ethylformamide;1-[2-[(5-ethyl-2-fluorophenyl)sulfanylmethyl]-3-(trifluoromethyl)phenyl]-1-methylhydrazine

C20H26F4N4OS — CID 144934064

IUPACN-amino-N-ethylformamide;1-[2-[(5-ethyl-2-fluorophenyl)sulfanylmethyl]-3-(trifluoromethyl)phenyl]-1-methylhydrazine
SMILESCCN(N)C=O.CCc1ccc(F)c(SCc2c(N(C)N)cccc2C(F)(F)F)c1
InChIInChI=1S/C17H18F4N2S.C3H8N2O/c1-3-11-7-8-14(18)16(9-11)24-10-12-13(17(19,20)21)5-4-6-15(12)23(2)22;1-2-5(4)3-6/h4-9H,3,10,22H2,1-2H3;3H,2,4H2,1H3
InChIKeyOLAJJIFZJFKPLX-UHFFFAOYSA-N
MW446.51 g/mol
LogP4.35
Rot. Bonds7

About N-amino-N-ethylformamide;1-[2-[(5-ethyl-2-fluorophenyl)sulfanylmethyl]-3-(trifluoromethyl)phenyl]-1-methylhydrazine

N-amino-N-ethylformamide;1-[2-[(5-ethyl-2-fluorophenyl)sulfanylmethyl]-3-(trifluoromethyl)phenyl]-1-methylhydrazine (PubChem CID 144934064) has the molecular formula C20H26F4N4OS and a molecular weight of 446.51 g/mol. Its IUPAC name is N-amino-N-ethylformamide;1-[2-[(5-ethyl-2-fluorophenyl)sulfanylmethyl]-3-(trifluoromethyl)phenyl]-1-methylhydrazine.

Molecular Properties

Compound NameN-amino-N-ethylformamide;1-[2-[(5-ethyl-2-fluorophenyl)sulfanylmethyl]-3-(trifluoromethyl)phenyl]-1-methylhydrazine
PubChem CID144934064
Molecular FormulaC20H26F4N4OS
Molecular Weight446.51 g/mol
Exact Mass446.18
IUPAC NameN-amino-N-ethylformamide;1-[2-[(5-ethyl-2-fluorophenyl)sulfanylmethyl]-3-(trifluoromethyl)phenyl]-1-methylhydrazine
SMILESCCN(N)C=O.CCc1ccc(F)c(SCc2c(N(C)N)cccc2C(F)(F)F)c1
InChIInChI=1S/C17H18F4N2S.C3H8N2O/c1-3-11-7-8-14(18)16(9-11)24-10-12-13(17(19,20)21)5-4-6-15(12)23(2)22;1-2-5(4)3-6/h4-9H,3,10,22H2,1-2H3;3H,2,4H2,1H3
InChIKeyOLAJJIFZJFKPLX-UHFFFAOYSA-N
XLogP4.35
TPSA75.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.51
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 N-amino-N-ethylformamide;1-[2-[(5-ethyl-2-fluorophenyl)sulfanylmethyl]-3-(trifluoromethyl)phenyl]-1-methylhydrazine?
The IUPAC name of N-amino-N-ethylformamide;1-[2-[(5-ethyl-2-fluorophenyl)sulfanylmethyl]-3-(trifluoromethyl)phenyl]-1-methylhydrazine (CID 144934064) is N-amino-N-ethylformamide;1-[2-[(5-ethyl-2-fluorophenyl)sulfanylmethyl]-3-(trifluoromethyl)phenyl]-1-methylhydrazine.
What is the SMILES notation for N-amino-N-ethylformamide;1-[2-[(5-ethyl-2-fluorophenyl)sulfanylmethyl]-3-(trifluoromethyl)phenyl]-1-methylhydrazine?
The canonical SMILES for N-amino-N-ethylformamide;1-[2-[(5-ethyl-2-fluorophenyl)sulfanylmethyl]-3-(trifluoromethyl)phenyl]-1-methylhydrazine is CCN(N)C=O.CCc1ccc(F)c(SCc2c(N(C)N)cccc2C(F)(F)F)c1.
What is the InChIKey of N-amino-N-ethylformamide;1-[2-[(5-ethyl-2-fluorophenyl)sulfanylmethyl]-3-(trifluoromethyl)phenyl]-1-methylhydrazine?
The InChIKey is OLAJJIFZJFKPLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F4N2S.C3H8N2O/c1-3-11-7-8-14(18)16(9-11)24-10-12-13(17(19,20)21)5-4-6-15(12)23(2)22;1-2-5(4)3-6/h4-9H,3,10,22H2,1-2H3;3H,2,4H2,1H3.
What are the key properties of N-amino-N-ethylformamide;1-[2-[(5-ethyl-2-fluorophenyl)sulfanylmethyl]-3-(trifluoromethyl)phenyl]-1-methylhydrazine?
N-amino-N-ethylformamide;1-[2-[(5-ethyl-2-fluorophenyl)sulfanylmethyl]-3-(trifluoromethyl)phenyl]-1-methylhydrazine has a molecular weight of 446.51 g/mol, XLogP of 4.35, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N-ethylformamide;1-[2-[(5-ethyl-2-fluorophenyl)sulfanylmethyl]-3-(trifluoromethyl)phenyl]-1-methylhydrazine is sourced from PubChem (CID 144934064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).