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

C18H23ClF2N4O2S — CID 144933974

IUPACN-amino-N-methylformamide;1-[3-chloro-2-[[5-(difluoromethyl)-2-methoxyphenyl]sulfanylmethyl]phenyl]-1-methylhydrazine
SMILESCN(N)C=O.COc1ccc(C(F)F)cc1SCc1c(Cl)cccc1N(C)N
InChIInChI=1S/C16H17ClF2N2OS.C2H6N2O/c1-21(20)13-5-3-4-12(17)11(13)9-23-15-8-10(16(18)19)6-7-14(15)22-2;1-4(3)2-5/h3-8,16H,9,20H2,1-2H3;2H,3H2,1H3
InChIKeyGBNQLOFUZBUMGD-UHFFFAOYSA-N
MW432.92 g/mol
LogP3.84
Rot. Bonds7

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

N-amino-N-methylformamide;1-[3-chloro-2-[[5-(difluoromethyl)-2-methoxyphenyl]sulfanylmethyl]phenyl]-1-methylhydrazine (PubChem CID 144933974) has the molecular formula C18H23ClF2N4O2S and a molecular weight of 432.92 g/mol. Its IUPAC name is N-amino-N-methylformamide;1-[3-chloro-2-[[5-(difluoromethyl)-2-methoxyphenyl]sulfanylmethyl]phenyl]-1-methylhydrazine.

Molecular Properties

Compound NameN-amino-N-methylformamide;1-[3-chloro-2-[[5-(difluoromethyl)-2-methoxyphenyl]sulfanylmethyl]phenyl]-1-methylhydrazine
PubChem CID144933974
Molecular FormulaC18H23ClF2N4O2S
Molecular Weight432.92 g/mol
Exact Mass432.12
IUPAC NameN-amino-N-methylformamide;1-[3-chloro-2-[[5-(difluoromethyl)-2-methoxyphenyl]sulfanylmethyl]phenyl]-1-methylhydrazine
SMILESCN(N)C=O.COc1ccc(C(F)F)cc1SCc1c(Cl)cccc1N(C)N
InChIInChI=1S/C16H17ClF2N2OS.C2H6N2O/c1-21(20)13-5-3-4-12(17)11(13)9-23-15-8-10(16(18)19)6-7-14(15)22-2;1-4(3)2-5/h3-8,16H,9,20H2,1-2H3;2H,3H2,1H3
InChIKeyGBNQLOFUZBUMGD-UHFFFAOYSA-N
XLogP3.84
TPSA84.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.92
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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Related Compounds

1-[2-[(5-bromo-2-methoxyphenyl)sulfanylmethyl]-3-cyclopropylphenyl]-1-methylhydrazine
CID 144934022
1-[2-[[2-methoxy-5-(trifluoromethyl)phenyl]sulfanylmethyl]phenyl]-1-methylhydrazine
CID 144934063
1-chloro-4-(difluoromethyl)-2-methoxybenzene
CID 84664383
2-(2,6-dichlorophenyl)-1-(3,4-dimethoxyphenyl)ethanamine
CID 62606810
1-[2-[(5-chloro-2-fluorophenyl)sulfanylmethyl]-3-cyclopropylphenyl]-1-methylhydrazine
CID 144933230
[2-(2-chloro-6-fluorophenyl)-1-(4-methoxy-3-methylphenyl)ethyl]hydrazine
CID 105258266
3-(2-chloro-6-fluorophenyl)-2-(3,4-dimethoxyphenyl)propan-1-amine
CID 82139829
1-chloro-2-[2-chloro-2-(3-chloro-4-methoxyphenyl)ethyl]-3-fluorobenzene
CID 63429035
4-(difluoromethyl)-2-ethyl-1-methoxybenzene
CID 176934725
2-chloro-6-[(2-methoxyphenyl)methyl-methylamino]benzaldehyde
CID 61418205
[1-(3-bromo-4-methoxyphenyl)-2-(2,6-dichlorophenyl)ethyl]hydrazine
CID 105293177
N-[2-[2-[(2-chlorophenyl)methylsulfanyl]-3-methoxy-N-methylanilino]hydrazinyl]formamide
CID 144838746

Frequently Asked Questions

What is the IUPAC name of N-amino-N-methylformamide;1-[3-chloro-2-[[5-(difluoromethyl)-2-methoxyphenyl]sulfanylmethyl]phenyl]-1-methylhydrazine?
The IUPAC name of N-amino-N-methylformamide;1-[3-chloro-2-[[5-(difluoromethyl)-2-methoxyphenyl]sulfanylmethyl]phenyl]-1-methylhydrazine (CID 144933974) is N-amino-N-methylformamide;1-[3-chloro-2-[[5-(difluoromethyl)-2-methoxyphenyl]sulfanylmethyl]phenyl]-1-methylhydrazine.
What is the SMILES notation for N-amino-N-methylformamide;1-[3-chloro-2-[[5-(difluoromethyl)-2-methoxyphenyl]sulfanylmethyl]phenyl]-1-methylhydrazine?
The canonical SMILES for N-amino-N-methylformamide;1-[3-chloro-2-[[5-(difluoromethyl)-2-methoxyphenyl]sulfanylmethyl]phenyl]-1-methylhydrazine is CN(N)C=O.COc1ccc(C(F)F)cc1SCc1c(Cl)cccc1N(C)N.
What is the InChIKey of N-amino-N-methylformamide;1-[3-chloro-2-[[5-(difluoromethyl)-2-methoxyphenyl]sulfanylmethyl]phenyl]-1-methylhydrazine?
The InChIKey is GBNQLOFUZBUMGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClF2N2OS.C2H6N2O/c1-21(20)13-5-3-4-12(17)11(13)9-23-15-8-10(16(18)19)6-7-14(15)22-2;1-4(3)2-5/h3-8,16H,9,20H2,1-2H3;2H,3H2,1H3.
What are the key properties of N-amino-N-methylformamide;1-[3-chloro-2-[[5-(difluoromethyl)-2-methoxyphenyl]sulfanylmethyl]phenyl]-1-methylhydrazine?
N-amino-N-methylformamide;1-[3-chloro-2-[[5-(difluoromethyl)-2-methoxyphenyl]sulfanylmethyl]phenyl]-1-methylhydrazine has a molecular weight of 432.92 g/mol, XLogP of 3.84, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N-methylformamide;1-[3-chloro-2-[[5-(difluoromethyl)-2-methoxyphenyl]sulfanylmethyl]phenyl]-1-methylhydrazine is sourced from PubChem (CID 144933974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).