2-bis(4-chlorophenyl)phosphoryl-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]acetamide

C21H17Cl2N2O4P — CID 135611774

IUPAC2-bis(4-chlorophenyl)phosphoryl-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]acetamide
SMILESO=C(CP(=O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1)N/N=C/c1ccc(O)cc1O
InChIInChI=1S/C21H17Cl2N2O4P/c22-15-2-7-18(8-3-15)30(29,19-9-4-16(23)5-10-19)13-21(28)25-24-12-14-1-6-17(26)11-20(14)27/h1-12,26-27H,13H2,(H,25,28)/b24-12+
InChIKeyHSVDKCNYRIMNOT-WYMPLXKRSA-N
MW463.26 g/mol
LogP3.87
Rot. Bonds6

About 2-bis(4-chlorophenyl)phosphoryl-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]acetamide

2-bis(4-chlorophenyl)phosphoryl-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]acetamide (PubChem CID 135611774) has the molecular formula C21H17Cl2N2O4P and a molecular weight of 463.26 g/mol. Its IUPAC name is 2-bis(4-chlorophenyl)phosphoryl-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-bis(4-chlorophenyl)phosphoryl-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]acetamide
PubChem CID135611774
Molecular FormulaC21H17Cl2N2O4P
Molecular Weight463.26 g/mol
Exact Mass462.03
IUPAC Name2-bis(4-chlorophenyl)phosphoryl-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]acetamide
SMILESO=C(CP(=O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1)N/N=C/c1ccc(O)cc1O
InChIInChI=1S/C21H17Cl2N2O4P/c22-15-2-7-18(8-3-15)30(29,19-9-4-16(23)5-10-19)13-21(28)25-24-12-14-1-6-17(26)11-20(14)27/h1-12,26-27H,13H2,(H,25,28)/b24-12+
InChIKeyHSVDKCNYRIMNOT-WYMPLXKRSA-N
XLogP3.87
TPSA98.99 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.26
LogP ≤ 53.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

Acetic acid, (diphenylphosphinyl)-, ((2,4-dihydroxyphenyl)methylene)hydrazide
CID 135606844
Acetic acid, (bis(4-chlorophenyl)phosphinyl)-((2-hydroxyphenyl)methylene)hydrazide
CID 135611775
Acetic acid, (diphenylphosphinyl)-, ((2-hydroxyphenyl)methylene)hydrazide
CID 135611783
Acetic acid, (diphenylphosphinyl)-, ((4-hydroxyphenyl)methylene)hydrazide
CID 135611784
3-(4-chlorophenyl)-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]propanamide
CID 136073836
3-(4-chlorophenyl)-N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]propanamide
CID 137037317
2-diphenylphosphoryl-N-[(2-hydroxyphenyl)methylideneamino]acetamide
CID 1284986
N-[(2,4-dihydroxyphenyl)methylideneamino]-2-diphenylphosphorylacetamide
CID 3077822
N-bis(4-chlorophenyl)phosphoryl-N-[(Z)-(2-hydroxyphenyl)methylideneamino]acetamide
CID 135801676
N-bis(4-chlorophenyl)phosphoryl-N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]acetamide
CID 135801677
N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]-2-diphenylphosphorylacetamide
CID 136691070

Frequently Asked Questions

What is the IUPAC name of 2-bis(4-chlorophenyl)phosphoryl-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-bis(4-chlorophenyl)phosphoryl-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]acetamide (CID 135611774) is 2-bis(4-chlorophenyl)phosphoryl-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-bis(4-chlorophenyl)phosphoryl-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-bis(4-chlorophenyl)phosphoryl-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]acetamide is O=C(CP(=O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1)N/N=C/c1ccc(O)cc1O.
What is the InChIKey of 2-bis(4-chlorophenyl)phosphoryl-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]acetamide?
The InChIKey is HSVDKCNYRIMNOT-WYMPLXKRSA-N. The full InChI is InChI=1S/C21H17Cl2N2O4P/c22-15-2-7-18(8-3-15)30(29,19-9-4-16(23)5-10-19)13-21(28)25-24-12-14-1-6-17(26)11-20(14)27/h1-12,26-27H,13H2,(H,25,28)/b24-12+.
What are the key properties of 2-bis(4-chlorophenyl)phosphoryl-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]acetamide?
2-bis(4-chlorophenyl)phosphoryl-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]acetamide has a molecular weight of 463.26 g/mol, XLogP of 3.87, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bis(4-chlorophenyl)phosphoryl-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 135611774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).