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

C21H17Cl2N2O4P — CID 135801677

IUPACN-bis(4-chlorophenyl)phosphoryl-N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]acetamide
SMILESCC(=O)N(/N=C\c1ccc(O)cc1O)P(=O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C21H17Cl2N2O4P/c1-14(26)25(24-13-15-2-7-18(27)12-21(15)28)30(29,19-8-3-16(22)4-9-19)20-10-5-17(23)6-11-20/h2-13,27-28H,1H3/b24-13-
InChIKeyRIQRKDLYCULFAO-CFRMEGHHSA-N
MW463.26 g/mol
LogP4.52
Rot. Bonds5

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

N-bis(4-chlorophenyl)phosphoryl-N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]acetamide (PubChem CID 135801677) has the molecular formula C21H17Cl2N2O4P and a molecular weight of 463.26 g/mol. Its IUPAC name is N-bis(4-chlorophenyl)phosphoryl-N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound NameN-bis(4-chlorophenyl)phosphoryl-N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]acetamide
PubChem CID135801677
Molecular FormulaC21H17Cl2N2O4P
Molecular Weight463.26 g/mol
Exact Mass462.03
IUPAC NameN-bis(4-chlorophenyl)phosphoryl-N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]acetamide
SMILESCC(=O)N(/N=C\c1ccc(O)cc1O)P(=O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C21H17Cl2N2O4P/c1-14(26)25(24-13-15-2-7-18(27)12-21(15)28)30(29,19-8-3-16(22)4-9-19)20-10-5-17(23)6-11-20/h2-13,27-28H,1H3/b24-13-
InChIKeyRIQRKDLYCULFAO-CFRMEGHHSA-N
XLogP4.52
TPSA90.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.26
LogP ≤ 54.52
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of N-bis(4-chlorophenyl)phosphoryl-N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]acetamide?
The IUPAC name of N-bis(4-chlorophenyl)phosphoryl-N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]acetamide (CID 135801677) is N-bis(4-chlorophenyl)phosphoryl-N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for N-bis(4-chlorophenyl)phosphoryl-N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]acetamide?
The canonical SMILES for N-bis(4-chlorophenyl)phosphoryl-N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]acetamide is CC(=O)N(/N=C\c1ccc(O)cc1O)P(=O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1.
What is the InChIKey of N-bis(4-chlorophenyl)phosphoryl-N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]acetamide?
The InChIKey is RIQRKDLYCULFAO-CFRMEGHHSA-N. The full InChI is InChI=1S/C21H17Cl2N2O4P/c1-14(26)25(24-13-15-2-7-18(27)12-21(15)28)30(29,19-8-3-16(22)4-9-19)20-10-5-17(23)6-11-20/h2-13,27-28H,1H3/b24-13-.
What are the key properties of N-bis(4-chlorophenyl)phosphoryl-N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]acetamide?
N-bis(4-chlorophenyl)phosphoryl-N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]acetamide has a molecular weight of 463.26 g/mol, XLogP of 4.52, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-bis(4-chlorophenyl)phosphoryl-N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 135801677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).