[(2-chloro-6-trimethylsilylbenzoyl)oxy-(ethylamino)phosphoryl] 2-chloro-6-trimethylsilylbenzoate

C22H30Cl2NO5PSi2 — CID 67614861

IUPAC[(2-chloro-6-trimethylsilylbenzoyl)oxy-(ethylamino)phosphoryl] 2-chloro-6-trimethylsilylbenzoate
SMILESCCNP(=O)(OC(=O)c1c(Cl)cccc1[Si](C)(C)C)OC(=O)c1c(Cl)cccc1[Si](C)(C)C
InChIInChI=1S/C22H30Cl2NO5PSi2/c1-8-25-31(28,29-21(26)19-15(23)11-9-13-17(19)32(2,3)4)30-22(27)20-16(24)12-10-14-18(20)33(5,6)7/h9-14H,8H2,1-7H3,(H,25,28)
InChIKeyQLKDTSRSMQGQKP-UHFFFAOYSA-N
MW546.54 g/mol
LogP5.82
Rot. Bonds8

About [(2-chloro-6-trimethylsilylbenzoyl)oxy-(ethylamino)phosphoryl] 2-chloro-6-trimethylsilylbenzoate

[(2-chloro-6-trimethylsilylbenzoyl)oxy-(ethylamino)phosphoryl] 2-chloro-6-trimethylsilylbenzoate (PubChem CID 67614861) has the molecular formula C22H30Cl2NO5PSi2 and a molecular weight of 546.54 g/mol. Its IUPAC name is [(2-chloro-6-trimethylsilylbenzoyl)oxy-(ethylamino)phosphoryl] 2-chloro-6-trimethylsilylbenzoate.

Molecular Properties

Compound Name[(2-chloro-6-trimethylsilylbenzoyl)oxy-(ethylamino)phosphoryl] 2-chloro-6-trimethylsilylbenzoate
PubChem CID67614861
Molecular FormulaC22H30Cl2NO5PSi2
Molecular Weight546.54 g/mol
Exact Mass545.08
IUPAC Name[(2-chloro-6-trimethylsilylbenzoyl)oxy-(ethylamino)phosphoryl] 2-chloro-6-trimethylsilylbenzoate
SMILESCCNP(=O)(OC(=O)c1c(Cl)cccc1[Si](C)(C)C)OC(=O)c1c(Cl)cccc1[Si](C)(C)C
InChIInChI=1S/C22H30Cl2NO5PSi2/c1-8-25-31(28,29-21(26)19-15(23)11-9-13-17(19)32(2,3)4)30-22(27)20-16(24)12-10-14-18(20)33(5,6)7/h9-14H,8H2,1-7H3,(H,25,28)
InChIKeyQLKDTSRSMQGQKP-UHFFFAOYSA-N
XLogP5.82
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.54
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-butan-2-yl-2-chloro-6-trimethylsilylbenzamide
CID 18630255
2-chloro-N-prop-2-enyl-6-trimethylsilylbenzamide
CID 18630326
2-chloro-N-ethyl-6-[ethyl(dimethyl)silyl]benzamide
CID 18630286
dimethyl 3-trimethylsilylbenzene-1,2-dicarboxylate
CID 24938477
2-chloro-N-(2-propan-2-ylphenyl)-6-trimethylsilylbenzamide
CID 18630035
N-tert-butyl-2-chloro-N-methyl-6-trimethylsilylbenzamide
CID 18630046
[2-(ethylamino)-2-oxoethyl] 2-amino-6-chlorobenzoate
CID 63662207
methyl 2-amino-6-chlorobenzoate;hydrochloride
CID 84819290
2-chloro-6-ethyl-N-methylbenzamide
CID 142221767
methyl 3-chloro-2-(3-chloropropanoyl)benzoate
CID 134648946
N-but-2-ynyl-2,6-dichlorobenzamide
CID 143542112
2-(3-chloro-2-methoxycarbonylphenyl)acetic acid
CID 91882394

Frequently Asked Questions

What is the IUPAC name of [(2-chloro-6-trimethylsilylbenzoyl)oxy-(ethylamino)phosphoryl] 2-chloro-6-trimethylsilylbenzoate?
The IUPAC name of [(2-chloro-6-trimethylsilylbenzoyl)oxy-(ethylamino)phosphoryl] 2-chloro-6-trimethylsilylbenzoate (CID 67614861) is [(2-chloro-6-trimethylsilylbenzoyl)oxy-(ethylamino)phosphoryl] 2-chloro-6-trimethylsilylbenzoate.
What is the SMILES notation for [(2-chloro-6-trimethylsilylbenzoyl)oxy-(ethylamino)phosphoryl] 2-chloro-6-trimethylsilylbenzoate?
The canonical SMILES for [(2-chloro-6-trimethylsilylbenzoyl)oxy-(ethylamino)phosphoryl] 2-chloro-6-trimethylsilylbenzoate is CCNP(=O)(OC(=O)c1c(Cl)cccc1[Si](C)(C)C)OC(=O)c1c(Cl)cccc1[Si](C)(C)C.
What is the InChIKey of [(2-chloro-6-trimethylsilylbenzoyl)oxy-(ethylamino)phosphoryl] 2-chloro-6-trimethylsilylbenzoate?
The InChIKey is QLKDTSRSMQGQKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30Cl2NO5PSi2/c1-8-25-31(28,29-21(26)19-15(23)11-9-13-17(19)32(2,3)4)30-22(27)20-16(24)12-10-14-18(20)33(5,6)7/h9-14H,8H2,1-7H3,(H,25,28).
What are the key properties of [(2-chloro-6-trimethylsilylbenzoyl)oxy-(ethylamino)phosphoryl] 2-chloro-6-trimethylsilylbenzoate?
[(2-chloro-6-trimethylsilylbenzoyl)oxy-(ethylamino)phosphoryl] 2-chloro-6-trimethylsilylbenzoate has a molecular weight of 546.54 g/mol, XLogP of 5.82, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-chloro-6-trimethylsilylbenzoyl)oxy-(ethylamino)phosphoryl] 2-chloro-6-trimethylsilylbenzoate is sourced from PubChem (CID 67614861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).