[2-[[3,5-bis(trifluoromethyl)phenyl]carbamoyl]-4-chlorophenyl] bis(2-trimethylsilylethyl) phosphate;N-[3,5-bis(trifluoromethyl)phenyl]-5-chloro-2-hydroxybenzamide

C40H41Cl2F12N2O7PSi2 — CID 159931840

IUPAC[2-[[3,5-bis(trifluoromethyl)phenyl]carbamoyl]-4-chlorophenyl] bis(2-trimethylsilylethyl) phosphate;N-[3,5-bis(trifluoromethyl)phenyl]-5-chloro-2-hydroxybenzamide
SMILESC[Si](C)(C)CCOP(=O)(OCC[Si](C)(C)C)Oc1ccc(Cl)cc1C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1.O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(Cl)ccc1O
InChIInChI=1S/C25H33ClF6NO5PSi2.C15H8ClF6NO2/c1-40(2,3)11-9-36-39(35,37-10-12-41(4,5)6)38-22-8-7-19(26)16-21(22)23(34)33-20-14-17(24(27,28)29)13-18(15-20)25(30,31)32;16-9-1-2-12(24)11(6-9)13(25)23-10-4-7(14(17,18)19)3-8(5-10)15(20,21)22/h7-8,13-16H,9-12H2,1-6H3,(H,33,34);1-6,24H,(H,23,25)
InChIKeyNZSXPLSCXKHKLG-UHFFFAOYSA-N
MW1047.80 g/mol
LogP15.16
Rot. Bonds14

About [2-[[3,5-bis(trifluoromethyl)phenyl]carbamoyl]-4-chlorophenyl] bis(2-trimethylsilylethyl) phosphate;N-[3,5-bis(trifluoromethyl)phenyl]-5-chloro-2-hydroxybenzamide

[2-[[3,5-bis(trifluoromethyl)phenyl]carbamoyl]-4-chlorophenyl] bis(2-trimethylsilylethyl) phosphate;N-[3,5-bis(trifluoromethyl)phenyl]-5-chloro-2-hydroxybenzamide (PubChem CID 159931840) has the molecular formula C40H41Cl2F12N2O7PSi2 and a molecular weight of 1047.80 g/mol. Its IUPAC name is [2-[[3,5-bis(trifluoromethyl)phenyl]carbamoyl]-4-chlorophenyl] bis(2-trimethylsilylethyl) phosphate;N-[3,5-bis(trifluoromethyl)phenyl]-5-chloro-2-hydroxybenzamide.

Molecular Properties

Compound Name[2-[[3,5-bis(trifluoromethyl)phenyl]carbamoyl]-4-chlorophenyl] bis(2-trimethylsilylethyl) phosphate;N-[3,5-bis(trifluoromethyl)phenyl]-5-chloro-2-hydroxybenzamide
PubChem CID159931840
Molecular FormulaC40H41Cl2F12N2O7PSi2
Molecular Weight1047.80 g/mol
Exact Mass1046.14
IUPAC Name[2-[[3,5-bis(trifluoromethyl)phenyl]carbamoyl]-4-chlorophenyl] bis(2-trimethylsilylethyl) phosphate;N-[3,5-bis(trifluoromethyl)phenyl]-5-chloro-2-hydroxybenzamide
SMILESC[Si](C)(C)CCOP(=O)(OCC[Si](C)(C)C)Oc1ccc(Cl)cc1C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1.O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(Cl)ccc1O
InChIInChI=1S/C25H33ClF6NO5PSi2.C15H8ClF6NO2/c1-40(2,3)11-9-36-39(35,37-10-12-41(4,5)6)38-22-8-7-19(26)16-21(22)23(34)33-20-14-17(24(27,28)29)13-18(15-20)25(30,31)32;16-9-1-2-12(24)11(6-9)13(25)23-10-4-7(14(17,18)19)3-8(5-10)15(20,21)22/h7-8,13-16H,9-12H2,1-6H3,(H,33,34);1-6,24H,(H,23,25)
InChIKeyNZSXPLSCXKHKLG-UHFFFAOYSA-N
XLogP15.16
TPSA123.19 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001047.80
LogP ≤ 515.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze [2-[[3,5-bis(trifluoromethyl)phenyl]carbamoyl]-4-chlorophenyl] bis(2-trimethylsilylethyl) phosphate;N-[3,5-bis(trifluoromethyl)phenyl]-5-chloro-2-hydroxybenzamide with MolForge

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

Launch Full Analysis

Related Compounds

[2-[[3,5-bis(trifluoromethyl)phenyl]carbamoyl]-4-chlorophenyl] iodosulfanylmethyl 2-sulfanylethyl phosphate
CID 167058560
N-[3-bromo-5-(trifluoromethyl)phenyl]-5-chloro-2-hydroxybenzamide
CID 71381238
5-chloro-2-hydroxy-N-[3-naphthalen-2-yloxy-5-(trifluoromethyl)phenyl]benzamide
CID 69017984
[4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl] diethyl phosphate
CID 73334324
5-chloro-2-hydroxy-N-[3-phenyl-5-(trifluoromethyl)phenyl]benzamide
CID 166523034
[4-chloro-2-[[3-methyl-5-(trifluoromethyl)phenyl]carbamoyl]phenyl] dihydrogen phosphate;bis(2-(2-hydroxyethylamino)ethanol);methane
CID 160546595
5-acetamido-N-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxybenzamide
CID 71554885
[3,5-bis(trifluoromethyl)phenyl] 3-[[3,5-bis(trifluoromethyl)phenyl]carbamoyl]-4-hydroxybenzoate
CID 11192744
[2-[bis(2-trimethylsilylethoxy)phosphoryloxy]-5-(trifluoromethyl)phenyl]methyl carbamate
CID 139986850
N-[3,5-bis(trifluoromethyl)phenyl]-5-chloro-2-(2-oxo-3-phenylpropoxy)benzamide
CID 10369262
2-[bis(2-hydroxyethoxy)amino]-N-[3,5-bis(trifluoromethyl)phenyl]-5-chlorobenzamide
CID 175096861
N-[2,5-bis(trifluoromethyl)phenyl]-5-bromo-2-hydroxybenzamide;[2-[[3,5-bis(trifluoromethyl)phenyl]carbamoyl]-4-chlorophenyl] morpholine-4-carboxylate;N-[3,5-bis(trifluoromethyl)phenyl]-5-chloro-2-hydroxybenzamide
CID 160607234

Frequently Asked Questions

What is the IUPAC name of [2-[[3,5-bis(trifluoromethyl)phenyl]carbamoyl]-4-chlorophenyl] bis(2-trimethylsilylethyl) phosphate;N-[3,5-bis(trifluoromethyl)phenyl]-5-chloro-2-hydroxybenzamide?
The IUPAC name of [2-[[3,5-bis(trifluoromethyl)phenyl]carbamoyl]-4-chlorophenyl] bis(2-trimethylsilylethyl) phosphate;N-[3,5-bis(trifluoromethyl)phenyl]-5-chloro-2-hydroxybenzamide (CID 159931840) is [2-[[3,5-bis(trifluoromethyl)phenyl]carbamoyl]-4-chlorophenyl] bis(2-trimethylsilylethyl) phosphate;N-[3,5-bis(trifluoromethyl)phenyl]-5-chloro-2-hydroxybenzamide.
What is the SMILES notation for [2-[[3,5-bis(trifluoromethyl)phenyl]carbamoyl]-4-chlorophenyl] bis(2-trimethylsilylethyl) phosphate;N-[3,5-bis(trifluoromethyl)phenyl]-5-chloro-2-hydroxybenzamide?
The canonical SMILES for [2-[[3,5-bis(trifluoromethyl)phenyl]carbamoyl]-4-chlorophenyl] bis(2-trimethylsilylethyl) phosphate;N-[3,5-bis(trifluoromethyl)phenyl]-5-chloro-2-hydroxybenzamide is C[Si](C)(C)CCOP(=O)(OCC[Si](C)(C)C)Oc1ccc(Cl)cc1C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1.O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(Cl)ccc1O.
What is the InChIKey of [2-[[3,5-bis(trifluoromethyl)phenyl]carbamoyl]-4-chlorophenyl] bis(2-trimethylsilylethyl) phosphate;N-[3,5-bis(trifluoromethyl)phenyl]-5-chloro-2-hydroxybenzamide?
The InChIKey is NZSXPLSCXKHKLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33ClF6NO5PSi2.C15H8ClF6NO2/c1-40(2,3)11-9-36-39(35,37-10-12-41(4,5)6)38-22-8-7-19(26)16-21(22)23(34)33-20-14-17(24(27,28)29)13-18(15-20)25(30,31)32;16-9-1-2-12(24)11(6-9)13(25)23-10-4-7(14(17,18)19)3-8(5-10)15(20,21)22/h7-8,13-16H,9-12H2,1-6H3,(H,33,34);1-6,24H,(H,23,25).
What are the key properties of [2-[[3,5-bis(trifluoromethyl)phenyl]carbamoyl]-4-chlorophenyl] bis(2-trimethylsilylethyl) phosphate;N-[3,5-bis(trifluoromethyl)phenyl]-5-chloro-2-hydroxybenzamide?
[2-[[3,5-bis(trifluoromethyl)phenyl]carbamoyl]-4-chlorophenyl] bis(2-trimethylsilylethyl) phosphate;N-[3,5-bis(trifluoromethyl)phenyl]-5-chloro-2-hydroxybenzamide has a molecular weight of 1047.80 g/mol, XLogP of 15.16, 14 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[3,5-bis(trifluoromethyl)phenyl]carbamoyl]-4-chlorophenyl] bis(2-trimethylsilylethyl) phosphate;N-[3,5-bis(trifluoromethyl)phenyl]-5-chloro-2-hydroxybenzamide is sourced from PubChem (CID 159931840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).