N-[[3-(difluoromethoxy)-2-[(2,4-dimethylphenoxy)methyl]-N-methylanilino]diazenyl]-N-methylformamide

C19H22F2N4O3 — CID 123738473

IUPACN-[[3-(difluoromethoxy)-2-[(2,4-dimethylphenoxy)methyl]-N-methylanilino]diazenyl]-N-methylformamide
SMILESCc1ccc(OCc2c(OC(F)F)cccc2N(C)N=NN(C)C=O)c(C)c1
InChIInChI=1S/C19H22F2N4O3/c1-13-8-9-17(14(2)10-13)27-11-15-16(25(4)23-22-24(3)12-26)6-5-7-18(15)28-19(20)21/h5-10,12,19H,11H2,1-4H3
InChIKeyWQIWWEITFUFCBP-UHFFFAOYSA-N
MW392.41 g/mol
LogP4.29
Rot. Bonds9

About N-[[3-(difluoromethoxy)-2-[(2,4-dimethylphenoxy)methyl]-N-methylanilino]diazenyl]-N-methylformamide

N-[[3-(difluoromethoxy)-2-[(2,4-dimethylphenoxy)methyl]-N-methylanilino]diazenyl]-N-methylformamide (PubChem CID 123738473) has the molecular formula C19H22F2N4O3 and a molecular weight of 392.41 g/mol. Its IUPAC name is N-[[3-(difluoromethoxy)-2-[(2,4-dimethylphenoxy)methyl]-N-methylanilino]diazenyl]-N-methylformamide.

Molecular Properties

Compound NameN-[[3-(difluoromethoxy)-2-[(2,4-dimethylphenoxy)methyl]-N-methylanilino]diazenyl]-N-methylformamide
PubChem CID123738473
Molecular FormulaC19H22F2N4O3
Molecular Weight392.41 g/mol
Exact Mass392.17
IUPAC NameN-[[3-(difluoromethoxy)-2-[(2,4-dimethylphenoxy)methyl]-N-methylanilino]diazenyl]-N-methylformamide
SMILESCc1ccc(OCc2c(OC(F)F)cccc2N(C)N=NN(C)C=O)c(C)c1
InChIInChI=1S/C19H22F2N4O3/c1-13-8-9-17(14(2)10-13)27-11-15-16(25(4)23-22-24(3)12-26)6-5-7-18(15)28-19(20)21/h5-10,12,19H,11H2,1-4H3
InChIKeyWQIWWEITFUFCBP-UHFFFAOYSA-N
XLogP4.29
TPSA66.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.41
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-[(2,4-dimethylphenoxy)methyl]-3-ethoxyphenyl]-N-methylpropanamide
CID 129038967
1-[2-[(2,4-dimethylphenoxy)methyl]-3-ethoxyphenyl]-1,3-dimethylurea
CID 129038819
[2-[(2,4-dimethylphenoxy)methyl]-3-fluorophenyl] propanoate
CID 122645816
O-methyl N-[2-[(2,4-dimethylphenoxy)methyl]-3-fluorophenyl]-N-hydroxycarbamothioate
CID 129038985
N-[2-[(2,4-dimethylphenoxy)methyl]-3-(hydroxymethyl)phenyl]-N-methylpropanamide
CID 129039032
1-[3-(difluoromethoxy)-2-[(5-methyl-1,2,4-triazin-6-yl)oxymethyl]phenyl]-1-methylhydrazine;formohydrazide
CID 144784198
2-[(2,4-dimethylphenoxy)methyl]-3-ethylaniline
CID 118244149
[2-[(2,4-dimethylphenoxy)methyl]-3-fluorophenyl] methylsulfanylformate
CID 122646159
methyl N-[2-[(2,4-dimethylphenoxy)methyl]-3-(hydroxymethyl)phenyl]-N-hydroxycarbamate
CID 129038801
1-[3-bromo-2-[(2,4-dimethylphenoxy)methyl]phenyl]-3-methylurea
CID 129038805
2-[(2,4-dimethylphenoxy)methyl]benzaldehyde
CID 19879846
2-[(2,4-dimethylphenoxy)methyl]-3-methylbenzamide
CID 118244198

Frequently Asked Questions

What is the IUPAC name of N-[[3-(difluoromethoxy)-2-[(2,4-dimethylphenoxy)methyl]-N-methylanilino]diazenyl]-N-methylformamide?
The IUPAC name of N-[[3-(difluoromethoxy)-2-[(2,4-dimethylphenoxy)methyl]-N-methylanilino]diazenyl]-N-methylformamide (CID 123738473) is N-[[3-(difluoromethoxy)-2-[(2,4-dimethylphenoxy)methyl]-N-methylanilino]diazenyl]-N-methylformamide.
What is the SMILES notation for N-[[3-(difluoromethoxy)-2-[(2,4-dimethylphenoxy)methyl]-N-methylanilino]diazenyl]-N-methylformamide?
The canonical SMILES for N-[[3-(difluoromethoxy)-2-[(2,4-dimethylphenoxy)methyl]-N-methylanilino]diazenyl]-N-methylformamide is Cc1ccc(OCc2c(OC(F)F)cccc2N(C)N=NN(C)C=O)c(C)c1.
What is the InChIKey of N-[[3-(difluoromethoxy)-2-[(2,4-dimethylphenoxy)methyl]-N-methylanilino]diazenyl]-N-methylformamide?
The InChIKey is WQIWWEITFUFCBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F2N4O3/c1-13-8-9-17(14(2)10-13)27-11-15-16(25(4)23-22-24(3)12-26)6-5-7-18(15)28-19(20)21/h5-10,12,19H,11H2,1-4H3.
What are the key properties of N-[[3-(difluoromethoxy)-2-[(2,4-dimethylphenoxy)methyl]-N-methylanilino]diazenyl]-N-methylformamide?
N-[[3-(difluoromethoxy)-2-[(2,4-dimethylphenoxy)methyl]-N-methylanilino]diazenyl]-N-methylformamide has a molecular weight of 392.41 g/mol, XLogP of 4.29, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(difluoromethoxy)-2-[(2,4-dimethylphenoxy)methyl]-N-methylanilino]diazenyl]-N-methylformamide is sourced from PubChem (CID 123738473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).