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

C21H17Cl2N2O3P — CID 135801676

IUPACN-bis(4-chlorophenyl)phosphoryl-N-[(Z)-(2-hydroxyphenyl)methylideneamino]acetamide
SMILESCC(=O)N(/N=C\c1ccccc1O)P(=O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C21H17Cl2N2O3P/c1-15(26)25(24-14-16-4-2-3-5-21(16)27)29(28,19-10-6-17(22)7-11-19)20-12-8-18(23)9-13-20/h2-14,27H,1H3/b24-14-
InChIKeyOJTNKWPRBKEPFB-OYKKKHCWSA-N
MW447.26 g/mol
LogP4.81
Rot. Bonds5

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

N-bis(4-chlorophenyl)phosphoryl-N-[(Z)-(2-hydroxyphenyl)methylideneamino]acetamide (PubChem CID 135801676) has the molecular formula C21H17Cl2N2O3P and a molecular weight of 447.26 g/mol. Its IUPAC name is N-bis(4-chlorophenyl)phosphoryl-N-[(Z)-(2-hydroxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound NameN-bis(4-chlorophenyl)phosphoryl-N-[(Z)-(2-hydroxyphenyl)methylideneamino]acetamide
PubChem CID135801676
Molecular FormulaC21H17Cl2N2O3P
Molecular Weight447.26 g/mol
Exact Mass446.04
IUPAC NameN-bis(4-chlorophenyl)phosphoryl-N-[(Z)-(2-hydroxyphenyl)methylideneamino]acetamide
SMILESCC(=O)N(/N=C\c1ccccc1O)P(=O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C21H17Cl2N2O3P/c1-15(26)25(24-14-16-4-2-3-5-21(16)27)29(28,19-10-6-17(22)7-11-19)20-12-8-18(23)9-13-20/h2-14,27H,1H3/b24-14-
InChIKeyOJTNKWPRBKEPFB-OYKKKHCWSA-N
XLogP4.81
TPSA69.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.26
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', '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'}

Analyze N-bis(4-chlorophenyl)phosphoryl-N-[(Z)-(2-hydroxyphenyl)methylideneamino]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-bis(4-chlorophenyl)phosphoryl-N-[(Z)-(2-hydroxyphenyl)methylideneamino]acetamide?
The IUPAC name of N-bis(4-chlorophenyl)phosphoryl-N-[(Z)-(2-hydroxyphenyl)methylideneamino]acetamide (CID 135801676) is N-bis(4-chlorophenyl)phosphoryl-N-[(Z)-(2-hydroxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for N-bis(4-chlorophenyl)phosphoryl-N-[(Z)-(2-hydroxyphenyl)methylideneamino]acetamide?
The canonical SMILES for N-bis(4-chlorophenyl)phosphoryl-N-[(Z)-(2-hydroxyphenyl)methylideneamino]acetamide is CC(=O)N(/N=C\c1ccccc1O)P(=O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1.
What is the InChIKey of N-bis(4-chlorophenyl)phosphoryl-N-[(Z)-(2-hydroxyphenyl)methylideneamino]acetamide?
The InChIKey is OJTNKWPRBKEPFB-OYKKKHCWSA-N. The full InChI is InChI=1S/C21H17Cl2N2O3P/c1-15(26)25(24-14-16-4-2-3-5-21(16)27)29(28,19-10-6-17(22)7-11-19)20-12-8-18(23)9-13-20/h2-14,27H,1H3/b24-14-.
What are the key properties of N-bis(4-chlorophenyl)phosphoryl-N-[(Z)-(2-hydroxyphenyl)methylideneamino]acetamide?
N-bis(4-chlorophenyl)phosphoryl-N-[(Z)-(2-hydroxyphenyl)methylideneamino]acetamide has a molecular weight of 447.26 g/mol, XLogP of 4.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-bis(4-chlorophenyl)phosphoryl-N-[(Z)-(2-hydroxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 135801676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).