triphenylstannyl 4-acetamidobenzoate

C27H23NO3Sn — CID 16684360

IUPACtriphenylstannyl 4-acetamidobenzoate
SMILESCC(=O)Nc1ccc(C(=O)O[Sn](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C9H9NO3.3C6H5.Sn/c1-6(11)10-8-4-2-7(3-5-8)9(12)13;3*1-2-4-6-5-3-1;/h2-5H,1H3,(H,10,11)(H,12,13);3*1-5H;/q;;;;+1/p-1
InChIKeyNNGKZQAAGFRBLE-UHFFFAOYSA-M
MW528.20 g/mol
LogP3.47
Rot. Bonds6

About triphenylstannyl 4-acetamidobenzoate

triphenylstannyl 4-acetamidobenzoate (PubChem CID 16684360) has the molecular formula C27H23NO3Sn and a molecular weight of 528.20 g/mol. Its IUPAC name is triphenylstannyl 4-acetamidobenzoate.

Molecular Properties

Compound Nametriphenylstannyl 4-acetamidobenzoate
PubChem CID16684360
Molecular FormulaC27H23NO3Sn
Molecular Weight528.20 g/mol
Exact Mass529.07
IUPAC Nametriphenylstannyl 4-acetamidobenzoate
SMILESCC(=O)Nc1ccc(C(=O)O[Sn](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C9H9NO3.3C6H5.Sn/c1-6(11)10-8-4-2-7(3-5-8)9(12)13;3*1-2-4-6-5-3-1;/h2-5H,1H3,(H,10,11)(H,12,13);3*1-5H;/q;;;;+1/p-1
InChIKeyNNGKZQAAGFRBLE-UHFFFAOYSA-M
XLogP3.47
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500528.20
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

p-Acetamidobenzoic acid
CID 19266
Ro 40-6055
CID 2126
Amsilarotene
CID 9800306
Ethyl 4-(benzoylamino)benzoate
CID 12914
4-(Benzylamino)benzoic acid
CID 853546
4-Phenylacetylamino-benzoic acid methyl ester
CID 669121
Methyl 4-[(3-methylbenzoyl)amino]benzoate
CID 759219
Acedoben sodium
CID 23681162
4-(Benzoylamino)benzoic acid
CID 252597
Ethyl 4-(adamantane-1-carbonylamino)benzoate
CID 2827422
Ethyl 4-[(2-methylbenzoyl)amino]benzoate
CID 689910
4-({2-[(4-Tert-butylbenzoyl)amino]benzoyl}amino)benzoic acid
CID 1255603

Frequently Asked Questions

What is the IUPAC name of triphenylstannyl 4-acetamidobenzoate?
The IUPAC name of triphenylstannyl 4-acetamidobenzoate (CID 16684360) is triphenylstannyl 4-acetamidobenzoate.
What is the SMILES notation for triphenylstannyl 4-acetamidobenzoate?
The canonical SMILES for triphenylstannyl 4-acetamidobenzoate is CC(=O)Nc1ccc(C(=O)O[Sn](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of triphenylstannyl 4-acetamidobenzoate?
The InChIKey is NNGKZQAAGFRBLE-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H9NO3.3C6H5.Sn/c1-6(11)10-8-4-2-7(3-5-8)9(12)13;3*1-2-4-6-5-3-1;/h2-5H,1H3,(H,10,11)(H,12,13);3*1-5H;/q;;;;+1/p-1.
What are the key properties of triphenylstannyl 4-acetamidobenzoate?
triphenylstannyl 4-acetamidobenzoate has a molecular weight of 528.20 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for triphenylstannyl 4-acetamidobenzoate is sourced from PubChem (CID 16684360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).