N-amino-N-methylformamide;1-[2-[(2-chloro-5-ethylphenyl)sulfanylmethyl]-3-(trifluoromethyl)phenyl]-1-methylhydrazine

C19H24ClF3N4OS — CID 144933309

IUPACN-amino-N-methylformamide;1-[2-[(2-chloro-5-ethylphenyl)sulfanylmethyl]-3-(trifluoromethyl)phenyl]-1-methylhydrazine
SMILESCCc1ccc(Cl)c(SCc2c(N(C)N)cccc2C(F)(F)F)c1.CN(N)C=O
InChIInChI=1S/C17H18ClF3N2S.C2H6N2O/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;1-4(3)2-5/h4-9H,3,10,22H2,1-2H3;2H,3H2,1H3
InChIKeyGPQNQELAHHGPFA-UHFFFAOYSA-N
MW448.94 g/mol
LogP4.47
Rot. Bonds6

About N-amino-N-methylformamide;1-[2-[(2-chloro-5-ethylphenyl)sulfanylmethyl]-3-(trifluoromethyl)phenyl]-1-methylhydrazine

N-amino-N-methylformamide;1-[2-[(2-chloro-5-ethylphenyl)sulfanylmethyl]-3-(trifluoromethyl)phenyl]-1-methylhydrazine (PubChem CID 144933309) has the molecular formula C19H24ClF3N4OS and a molecular weight of 448.94 g/mol. Its IUPAC name is N-amino-N-methylformamide;1-[2-[(2-chloro-5-ethylphenyl)sulfanylmethyl]-3-(trifluoromethyl)phenyl]-1-methylhydrazine.

Molecular Properties

Compound NameN-amino-N-methylformamide;1-[2-[(2-chloro-5-ethylphenyl)sulfanylmethyl]-3-(trifluoromethyl)phenyl]-1-methylhydrazine
PubChem CID144933309
Molecular FormulaC19H24ClF3N4OS
Molecular Weight448.94 g/mol
Exact Mass448.13
IUPAC NameN-amino-N-methylformamide;1-[2-[(2-chloro-5-ethylphenyl)sulfanylmethyl]-3-(trifluoromethyl)phenyl]-1-methylhydrazine
SMILESCCc1ccc(Cl)c(SCc2c(N(C)N)cccc2C(F)(F)F)c1.CN(N)C=O
InChIInChI=1S/C17H18ClF3N2S.C2H6N2O/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;1-4(3)2-5/h4-9H,3,10,22H2,1-2H3;2H,3H2,1H3
InChIKeyGPQNQELAHHGPFA-UHFFFAOYSA-N
XLogP4.47
TPSA75.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.94
LogP ≤ 54.47
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-methylformamide;1-[2-[(2-chloro-5-ethylphenyl)sulfanylmethyl]-3-(trifluoromethyl)phenyl]-1-methylhydrazine?
The IUPAC name of N-amino-N-methylformamide;1-[2-[(2-chloro-5-ethylphenyl)sulfanylmethyl]-3-(trifluoromethyl)phenyl]-1-methylhydrazine (CID 144933309) is N-amino-N-methylformamide;1-[2-[(2-chloro-5-ethylphenyl)sulfanylmethyl]-3-(trifluoromethyl)phenyl]-1-methylhydrazine.
What is the SMILES notation for N-amino-N-methylformamide;1-[2-[(2-chloro-5-ethylphenyl)sulfanylmethyl]-3-(trifluoromethyl)phenyl]-1-methylhydrazine?
The canonical SMILES for N-amino-N-methylformamide;1-[2-[(2-chloro-5-ethylphenyl)sulfanylmethyl]-3-(trifluoromethyl)phenyl]-1-methylhydrazine is CCc1ccc(Cl)c(SCc2c(N(C)N)cccc2C(F)(F)F)c1.CN(N)C=O.
What is the InChIKey of N-amino-N-methylformamide;1-[2-[(2-chloro-5-ethylphenyl)sulfanylmethyl]-3-(trifluoromethyl)phenyl]-1-methylhydrazine?
The InChIKey is GPQNQELAHHGPFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClF3N2S.C2H6N2O/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;1-4(3)2-5/h4-9H,3,10,22H2,1-2H3;2H,3H2,1H3.
What are the key properties of N-amino-N-methylformamide;1-[2-[(2-chloro-5-ethylphenyl)sulfanylmethyl]-3-(trifluoromethyl)phenyl]-1-methylhydrazine?
N-amino-N-methylformamide;1-[2-[(2-chloro-5-ethylphenyl)sulfanylmethyl]-3-(trifluoromethyl)phenyl]-1-methylhydrazine has a molecular weight of 448.94 g/mol, XLogP of 4.47, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N-methylformamide;1-[2-[(2-chloro-5-ethylphenyl)sulfanylmethyl]-3-(trifluoromethyl)phenyl]-1-methylhydrazine is sourced from PubChem (CID 144933309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).