[[4-[4-[[(2,6-dichlorobenzoyl)amino]methyl]phenyl]-2-oxo-1-pyridinyl]methoxy-hydroxyphosphoryl]oxidanium

C20H18Cl2N2O6P+ — CID 152804425

IUPAC[[4-[4-[[(2,6-dichlorobenzoyl)amino]methyl]phenyl]-2-oxo-1-pyridinyl]methoxy-hydroxyphosphoryl]oxidanium
SMILESO=C(NCc1ccc(-c2ccn(COP(=O)(O)[OH2+])c(=O)c2)cc1)c1c(Cl)cccc1Cl
InChIInChI=1S/C20H17Cl2N2O6P/c21-16-2-1-3-17(22)19(16)20(26)23-11-13-4-6-14(7-5-13)15-8-9-24(18(25)10-15)12-30-31(27,28)29/h1-10H,11-12H2,(H,23,26)(H2,27,28,29)/p+1
InChIKeySPADNYVJQZNTKZ-UHFFFAOYSA-O
MW484.25 g/mol
LogP3.55
Rot. Bonds7

About [[4-[4-[[(2,6-dichlorobenzoyl)amino]methyl]phenyl]-2-oxo-1-pyridinyl]methoxy-hydroxyphosphoryl]oxidanium

[[4-[4-[[(2,6-dichlorobenzoyl)amino]methyl]phenyl]-2-oxo-1-pyridinyl]methoxy-hydroxyphosphoryl]oxidanium (PubChem CID 152804425) has the molecular formula C20H18Cl2N2O6P+ and a molecular weight of 484.25 g/mol. Its IUPAC name is [[4-[4-[[(2,6-dichlorobenzoyl)amino]methyl]phenyl]-2-oxo-1-pyridinyl]methoxy-hydroxyphosphoryl]oxidanium.

Molecular Properties

Compound Name[[4-[4-[[(2,6-dichlorobenzoyl)amino]methyl]phenyl]-2-oxo-1-pyridinyl]methoxy-hydroxyphosphoryl]oxidanium
PubChem CID152804425
Molecular FormulaC20H18Cl2N2O6P+
Molecular Weight484.25 g/mol
Exact Mass483.03
IUPAC Name[[4-[4-[[(2,6-dichlorobenzoyl)amino]methyl]phenyl]-2-oxo-1-pyridinyl]methoxy-hydroxyphosphoryl]oxidanium
SMILESO=C(NCc1ccc(-c2ccn(COP(=O)(O)[OH2+])c(=O)c2)cc1)c1c(Cl)cccc1Cl
InChIInChI=1S/C20H17Cl2N2O6P/c21-16-2-1-3-17(22)19(16)20(26)23-11-13-4-6-14(7-5-13)15-8-9-24(18(25)10-15)12-30-31(27,28)29/h1-10H,11-12H2,(H,23,26)(H2,27,28,29)/p+1
InChIKeySPADNYVJQZNTKZ-UHFFFAOYSA-O
XLogP3.55
TPSA120.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.25
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

2,6-dichloro-N-[[4-(2-methyl-6-oxo-1H-pyridin-4-yl)phenyl]methyl]benzamide
CID 71150032
2,6-dichloro-N-[(4-fluorophenyl)methyl]benzamide
CID 841148
2-chloro-6-methyl-N-[[4-(6-oxo-1H-pyridin-2-yl)phenyl]methyl]benzamide
CID 170430933
2,6-dichloro-N-[(3-methylphenyl)methyl]benzamide
CID 159197280
1-(2-chlorophenyl)-N-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)pyrazole-5-carboxamide
CID 42758626
N-[(4-chlorophenyl)methyl]-1-(6-phenylindolizin-3-yl)pyrazole-3-carboxamide
CID 97362092
2,6-dichloro-N-(pyridin-1-ium-3-ylmethyl)benzamide chloride
CID 20787064
2-amino-N-[[4-(3-chlorophenyl)phenyl]methyl]acetamide
CID 110477641
2-chloro-6-fluoro-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 14772555
2-chloro-N-[[4-(furan-3-yl)phenyl]methyl]benzamide
CID 119103308
2,6-dimethyl-N-[[4-(2-oxo-1-pyridinyl)phenyl]methyl]benzamide
CID 172754619
2-chloro-N-[(3-chlorophenyl)methyl]-6-fluorobenzamide
CID 2679700

Frequently Asked Questions

What is the IUPAC name of [[4-[4-[[(2,6-dichlorobenzoyl)amino]methyl]phenyl]-2-oxo-1-pyridinyl]methoxy-hydroxyphosphoryl]oxidanium?
The IUPAC name of [[4-[4-[[(2,6-dichlorobenzoyl)amino]methyl]phenyl]-2-oxo-1-pyridinyl]methoxy-hydroxyphosphoryl]oxidanium (CID 152804425) is [[4-[4-[[(2,6-dichlorobenzoyl)amino]methyl]phenyl]-2-oxo-1-pyridinyl]methoxy-hydroxyphosphoryl]oxidanium.
What is the SMILES notation for [[4-[4-[[(2,6-dichlorobenzoyl)amino]methyl]phenyl]-2-oxo-1-pyridinyl]methoxy-hydroxyphosphoryl]oxidanium?
The canonical SMILES for [[4-[4-[[(2,6-dichlorobenzoyl)amino]methyl]phenyl]-2-oxo-1-pyridinyl]methoxy-hydroxyphosphoryl]oxidanium is O=C(NCc1ccc(-c2ccn(COP(=O)(O)[OH2+])c(=O)c2)cc1)c1c(Cl)cccc1Cl.
What is the InChIKey of [[4-[4-[[(2,6-dichlorobenzoyl)amino]methyl]phenyl]-2-oxo-1-pyridinyl]methoxy-hydroxyphosphoryl]oxidanium?
The InChIKey is SPADNYVJQZNTKZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H17Cl2N2O6P/c21-16-2-1-3-17(22)19(16)20(26)23-11-13-4-6-14(7-5-13)15-8-9-24(18(25)10-15)12-30-31(27,28)29/h1-10H,11-12H2,(H,23,26)(H2,27,28,29)/p+1.
What are the key properties of [[4-[4-[[(2,6-dichlorobenzoyl)amino]methyl]phenyl]-2-oxo-1-pyridinyl]methoxy-hydroxyphosphoryl]oxidanium?
[[4-[4-[[(2,6-dichlorobenzoyl)amino]methyl]phenyl]-2-oxo-1-pyridinyl]methoxy-hydroxyphosphoryl]oxidanium has a molecular weight of 484.25 g/mol, XLogP of 3.55, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [[4-[4-[[(2,6-dichlorobenzoyl)amino]methyl]phenyl]-2-oxo-1-pyridinyl]methoxy-hydroxyphosphoryl]oxidanium is sourced from PubChem (CID 152804425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).