N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-N-[(2-methylphenyl)methyl]hydroxylamine

C21H18F2N2O3 — CID 162601754

IUPACN-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-N-[(2-methylphenyl)methyl]hydroxylamine
SMILESCc1ccccc1CN(O)c1ccc(-c2cc3c(cc2C)OC(F)(F)O3)cn1
InChIInChI=1S/C21H18F2N2O3/c1-13-5-3-4-6-16(13)12-25(26)20-8-7-15(11-24-20)17-10-19-18(9-14(17)2)27-21(22,23)28-19/h3-11,26H,12H2,1-2H3
InChIKeyHSOSMPOAMWZJNA-UHFFFAOYSA-N
MW384.38 g/mol
LogP5.08
Rot. Bonds4

About N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-N-[(2-methylphenyl)methyl]hydroxylamine

N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-N-[(2-methylphenyl)methyl]hydroxylamine (PubChem CID 162601754) has the molecular formula C21H18F2N2O3 and a molecular weight of 384.38 g/mol. Its IUPAC name is N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-N-[(2-methylphenyl)methyl]hydroxylamine.

Molecular Properties

Compound NameN-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-N-[(2-methylphenyl)methyl]hydroxylamine
PubChem CID162601754
Molecular FormulaC21H18F2N2O3
Molecular Weight384.38 g/mol
Exact Mass384.13
IUPAC NameN-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-N-[(2-methylphenyl)methyl]hydroxylamine
SMILESCc1ccccc1CN(O)c1ccc(-c2cc3c(cc2C)OC(F)(F)O3)cn1
InChIInChI=1S/C21H18F2N2O3/c1-13-5-3-4-6-16(13)12-25(26)20-8-7-15(11-24-20)17-10-19-18(9-14(17)2)27-21(22,23)28-19/h3-11,26H,12H2,1-2H3
InChIKeyHSOSMPOAMWZJNA-UHFFFAOYSA-N
XLogP5.08
TPSA54.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.38
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-N-[(2-methylphenyl)methyl]hydroxylamine?
The IUPAC name of N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-N-[(2-methylphenyl)methyl]hydroxylamine (CID 162601754) is N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-N-[(2-methylphenyl)methyl]hydroxylamine.
What is the SMILES notation for N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-N-[(2-methylphenyl)methyl]hydroxylamine?
The canonical SMILES for N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-N-[(2-methylphenyl)methyl]hydroxylamine is Cc1ccccc1CN(O)c1ccc(-c2cc3c(cc2C)OC(F)(F)O3)cn1.
What is the InChIKey of N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-N-[(2-methylphenyl)methyl]hydroxylamine?
The InChIKey is HSOSMPOAMWZJNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F2N2O3/c1-13-5-3-4-6-16(13)12-25(26)20-8-7-15(11-24-20)17-10-19-18(9-14(17)2)27-21(22,23)28-19/h3-11,26H,12H2,1-2H3.
What are the key properties of N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-N-[(2-methylphenyl)methyl]hydroxylamine?
N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-N-[(2-methylphenyl)methyl]hydroxylamine has a molecular weight of 384.38 g/mol, XLogP of 5.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-N-[(2-methylphenyl)methyl]hydroxylamine is sourced from PubChem (CID 162601754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).