4-[[4-[[4-[(4-carboxyphenyl)carbamoyl]phenyl]-dimethylsilyl]benzoyl]amino]benzoic acid

C30H26N2O6Si — CID 102014802

IUPAC4-[[4-[[4-[(4-carboxyphenyl)carbamoyl]phenyl]-dimethylsilyl]benzoyl]amino]benzoic acid
SMILESC[Si](C)(c1ccc(C(=O)Nc2ccc(C(=O)O)cc2)cc1)c1ccc(C(=O)Nc2ccc(C(=O)O)cc2)cc1
InChIInChI=1S/C30H26N2O6Si/c1-39(2,25-15-7-19(8-16-25)27(33)31-23-11-3-21(4-12-23)29(35)36)26-17-9-20(10-18-26)28(34)32-24-13-5-22(6-14-24)30(37)38/h3-18H,1-2H3,(H,31,33)(H,32,34)(H,35,36)(H,37,38)
InChIKeyBOGOJDFWBVOHPC-UHFFFAOYSA-N
MW538.63 g/mol
LogP4.41
Rot. Bonds8

About 4-[[4-[[4-[(4-carboxyphenyl)carbamoyl]phenyl]-dimethylsilyl]benzoyl]amino]benzoic acid

4-[[4-[[4-[(4-carboxyphenyl)carbamoyl]phenyl]-dimethylsilyl]benzoyl]amino]benzoic acid (PubChem CID 102014802) has the molecular formula C30H26N2O6Si and a molecular weight of 538.63 g/mol. Its IUPAC name is 4-[[4-[[4-[(4-carboxyphenyl)carbamoyl]phenyl]-dimethylsilyl]benzoyl]amino]benzoic acid.

Molecular Properties

Compound Name4-[[4-[[4-[(4-carboxyphenyl)carbamoyl]phenyl]-dimethylsilyl]benzoyl]amino]benzoic acid
PubChem CID102014802
Molecular FormulaC30H26N2O6Si
Molecular Weight538.63 g/mol
Exact Mass538.16
IUPAC Name4-[[4-[[4-[(4-carboxyphenyl)carbamoyl]phenyl]-dimethylsilyl]benzoyl]amino]benzoic acid
SMILESC[Si](C)(c1ccc(C(=O)Nc2ccc(C(=O)O)cc2)cc1)c1ccc(C(=O)Nc2ccc(C(=O)O)cc2)cc1
InChIInChI=1S/C30H26N2O6Si/c1-39(2,25-15-7-19(8-16-25)27(33)31-23-11-3-21(4-12-23)29(35)36)26-17-9-20(10-18-26)28(34)32-24-13-5-22(6-14-24)30(37)38/h3-18H,1-2H3,(H,31,33)(H,32,34)(H,35,36)(H,37,38)
InChIKeyBOGOJDFWBVOHPC-UHFFFAOYSA-N
XLogP4.41
TPSA132.80 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500538.63
LogP ≤ 54.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[[4-[(4-acetamidobenzoyl)amino]benzoyl]amino]benzoic acid
CID 155141284
4-[[4-(hydroxycarbamoyl)phenyl]carbamoyl]benzoic acid
CID 86231405
4-[[4-(2-methylpropanoylamino)benzoyl]amino]benzoic acid
CID 17172328
4-[dimethyl(phenyl)silyl]benzoic acid
CID 142466925
4-[[4-[4-[(4-carboxyphenyl)carbamoyl]phenoxy]benzoyl]amino]benzoic acid
CID 1113230
4-[(4-chlorosulfonylbenzoyl)amino]benzoic acid
CID 164925854
4-[[4-[[4-[(2-methylpropan-2-yl)oxycarbonyl]benzoyl]amino]benzoyl]amino]benzoic acid
CID 155124786
4-[4-(phenylcarbamoyl)benzoyl]benzoic acid
CID 10315543
4-[4-[(4-bromophenyl)carbamoyl]phenyl]benzoic acid
CID 155193999
4-[[4-(chloromethyl)benzoyl]amino]benzoic acid
CID 61251560
4-[(4-hydroxy-3,5-diiodobenzoyl)amino]benzoic acid
CID 3027490
4-[[2-[4-[(4-carboxyphenyl)carbamoyl]-2-pyridinyl]pyridine-4-carbonyl]amino]benzoic acid
CID 102503336

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[[4-[(4-carboxyphenyl)carbamoyl]phenyl]-dimethylsilyl]benzoyl]amino]benzoic acid?
The IUPAC name of 4-[[4-[[4-[(4-carboxyphenyl)carbamoyl]phenyl]-dimethylsilyl]benzoyl]amino]benzoic acid (CID 102014802) is 4-[[4-[[4-[(4-carboxyphenyl)carbamoyl]phenyl]-dimethylsilyl]benzoyl]amino]benzoic acid.
What is the SMILES notation for 4-[[4-[[4-[(4-carboxyphenyl)carbamoyl]phenyl]-dimethylsilyl]benzoyl]amino]benzoic acid?
The canonical SMILES for 4-[[4-[[4-[(4-carboxyphenyl)carbamoyl]phenyl]-dimethylsilyl]benzoyl]amino]benzoic acid is C[Si](C)(c1ccc(C(=O)Nc2ccc(C(=O)O)cc2)cc1)c1ccc(C(=O)Nc2ccc(C(=O)O)cc2)cc1.
What is the InChIKey of 4-[[4-[[4-[(4-carboxyphenyl)carbamoyl]phenyl]-dimethylsilyl]benzoyl]amino]benzoic acid?
The InChIKey is BOGOJDFWBVOHPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26N2O6Si/c1-39(2,25-15-7-19(8-16-25)27(33)31-23-11-3-21(4-12-23)29(35)36)26-17-9-20(10-18-26)28(34)32-24-13-5-22(6-14-24)30(37)38/h3-18H,1-2H3,(H,31,33)(H,32,34)(H,35,36)(H,37,38).
What are the key properties of 4-[[4-[[4-[(4-carboxyphenyl)carbamoyl]phenyl]-dimethylsilyl]benzoyl]amino]benzoic acid?
4-[[4-[[4-[(4-carboxyphenyl)carbamoyl]phenyl]-dimethylsilyl]benzoyl]amino]benzoic acid has a molecular weight of 538.63 g/mol, XLogP of 4.41, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[[4-[(4-carboxyphenyl)carbamoyl]phenyl]-dimethylsilyl]benzoyl]amino]benzoic acid is sourced from PubChem (CID 102014802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).