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

C21H17Cl2N2O3P — CID 135611775

IUPAC2-bis(4-chlorophenyl)phosphoryl-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide
SMILESO=C(CP(=O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1)N/N=C/c1ccccc1O
InChIInChI=1S/C21H17Cl2N2O3P/c22-16-5-9-18(10-6-16)29(28,19-11-7-17(23)8-12-19)14-21(27)25-24-13-15-3-1-2-4-20(15)26/h1-13,26H,14H2,(H,25,27)/b24-13+
InChIKeyKJMYPXQAAVVUNX-ZMOGYAJESA-N
MW447.26 g/mol
LogP4.16
Rot. Bonds6

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

2-bis(4-chlorophenyl)phosphoryl-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide (PubChem CID 135611775) has the molecular formula C21H17Cl2N2O3P and a molecular weight of 447.26 g/mol. Its IUPAC name is 2-bis(4-chlorophenyl)phosphoryl-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-bis(4-chlorophenyl)phosphoryl-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide
PubChem CID135611775
Molecular FormulaC21H17Cl2N2O3P
Molecular Weight447.26 g/mol
Exact Mass446.04
IUPAC Name2-bis(4-chlorophenyl)phosphoryl-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide
SMILESO=C(CP(=O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1)N/N=C/c1ccccc1O
InChIInChI=1S/C21H17Cl2N2O3P/c22-16-5-9-18(10-6-16)29(28,19-11-7-17(23)8-12-19)14-21(27)25-24-13-15-3-1-2-4-20(15)26/h1-13,26H,14H2,(H,25,27)/b24-13+
InChIKeyKJMYPXQAAVVUNX-ZMOGYAJESA-N
XLogP4.16
TPSA78.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.26
LogP ≤ 54.16
H-Bond Donors ≤ 52
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'}

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Related Compounds

2-(4-chloroanilino)-N-[(E)-(2-hydroxyphenyl)methylideneamino]propanamide
CID 135821532
N-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-diphenylphosphorylacetamide
CID 135425020
N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[[2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]amino]acetamide
CID 177478603
N,N'-bis[(E)-(2-hydroxyphenyl)methylideneamino]decanediamide
CID 135555032
3-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-3-oxopropanoate
CID 135683195
N-[(2-bromophenyl)methylideneamino]-2-(4-chlorophenoxy)acetamide
CID 2311965
N-[(Z)-(2-hydroxyphenyl)methylideneamino]-2-(2,4,5-trichlorophenoxy)acetamide
CID 136794072
2-(3-chloroanilino)-N-[(2-hydroxyphenyl)methylideneamino]acetamide
CID 5143452
N-[(E)-(2-hydroxyphenyl)methylideneamino]pentanamide
CID 135509646
2-(2,6-dibromo-4-chloroanilino)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]acetamide
CID 136773677
2-(2,3-dichlorophenoxy)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]acetamide
CID 136808275
N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[[2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-nitrosoamino]acetamide
CID 135747209

Frequently Asked Questions

What is the IUPAC name of 2-bis(4-chlorophenyl)phosphoryl-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-bis(4-chlorophenyl)phosphoryl-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide (CID 135611775) is 2-bis(4-chlorophenyl)phosphoryl-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-bis(4-chlorophenyl)phosphoryl-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-bis(4-chlorophenyl)phosphoryl-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide is O=C(CP(=O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1)N/N=C/c1ccccc1O.
What is the InChIKey of 2-bis(4-chlorophenyl)phosphoryl-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide?
The InChIKey is KJMYPXQAAVVUNX-ZMOGYAJESA-N. The full InChI is InChI=1S/C21H17Cl2N2O3P/c22-16-5-9-18(10-6-16)29(28,19-11-7-17(23)8-12-19)14-21(27)25-24-13-15-3-1-2-4-20(15)26/h1-13,26H,14H2,(H,25,27)/b24-13+.
What are the key properties of 2-bis(4-chlorophenyl)phosphoryl-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide?
2-bis(4-chlorophenyl)phosphoryl-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide has a molecular weight of 447.26 g/mol, XLogP of 4.16, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bis(4-chlorophenyl)phosphoryl-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 135611775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).