4-[[4-[(4-acetamidobenzoyl)amino]benzoyl]amino]benzoic acid

C23H19N3O5 — CID 155141284

IUPAC4-[[4-[(4-acetamidobenzoyl)amino]benzoyl]amino]benzoic acid
SMILESCC(=O)Nc1ccc(C(=O)Nc2ccc(C(=O)Nc3ccc(C(=O)O)cc3)cc2)cc1
InChIInChI=1S/C23H19N3O5/c1-14(27)24-18-8-2-15(3-9-18)21(28)25-19-10-4-16(5-11-19)22(29)26-20-12-6-17(7-13-20)23(30)31/h2-13H,1H3,(H,24,27)(H,25,28)(H,26,29)(H,30,31)
InChIKeyIMOKYJQFZZDGKA-UHFFFAOYSA-N
MW417.42 g/mol
LogP3.85
Rot. Bonds6

About 4-[[4-[(4-acetamidobenzoyl)amino]benzoyl]amino]benzoic acid

4-[[4-[(4-acetamidobenzoyl)amino]benzoyl]amino]benzoic acid (PubChem CID 155141284) has the molecular formula C23H19N3O5 and a molecular weight of 417.42 g/mol. Its IUPAC name is 4-[[4-[(4-acetamidobenzoyl)amino]benzoyl]amino]benzoic acid.

Molecular Properties

Compound Name4-[[4-[(4-acetamidobenzoyl)amino]benzoyl]amino]benzoic acid
PubChem CID155141284
Molecular FormulaC23H19N3O5
Molecular Weight417.42 g/mol
Exact Mass417.13
IUPAC Name4-[[4-[(4-acetamidobenzoyl)amino]benzoyl]amino]benzoic acid
SMILESCC(=O)Nc1ccc(C(=O)Nc2ccc(C(=O)Nc3ccc(C(=O)O)cc3)cc2)cc1
InChIInChI=1S/C23H19N3O5/c1-14(27)24-18-8-2-15(3-9-18)21(28)25-19-10-4-16(5-11-19)22(29)26-20-12-6-17(7-13-20)23(30)31/h2-13H,1H3,(H,24,27)(H,25,28)(H,26,29)(H,30,31)
InChIKeyIMOKYJQFZZDGKA-UHFFFAOYSA-N
XLogP3.85
TPSA124.60 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.42
LogP ≤ 53.85
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-acetamidoanilino)benzoic acid
CID 11425691
4-[[4-(hydroxycarbamoyl)phenyl]carbamoyl]benzoic acid
CID 86231405
N-[4-[(4-acetamidophenyl)carbamoyl]phenyl]-4-methylbenzamide
CID 2223178
4-[[4-[[4-[(4-carboxyphenyl)carbamoyl]phenyl]-dimethylsilyl]benzoyl]amino]benzoic acid
CID 102014802
4-N-(4-acetamidophenyl)benzene-1,4-dicarboxamide
CID 27648779
4-[[4-(2-methylpropanoylamino)benzoyl]amino]benzoic acid
CID 17172328
4-acetamido-N-[4-[(4-acetamidophenyl)diazenyl]phenyl]benzamide
CID 130360401
4-[[4-[4-[(4-carboxyphenyl)carbamoyl]phenoxy]benzoyl]amino]benzoic acid
CID 1113230
N-(4-acetamidophenyl)-4-(dimethylamino)benzamide
CID 669679
N-(4-acetamidophenyl)-4-phenoxybenzamide
CID 16651566
4-[[4-[[4-[(2-methylpropan-2-yl)oxycarbonyl]benzoyl]amino]benzoyl]amino]benzoic acid
CID 155124786
4-[4-(phenylcarbamoyl)benzoyl]benzoic acid
CID 10315543

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[(4-acetamidobenzoyl)amino]benzoyl]amino]benzoic acid?
The IUPAC name of 4-[[4-[(4-acetamidobenzoyl)amino]benzoyl]amino]benzoic acid (CID 155141284) is 4-[[4-[(4-acetamidobenzoyl)amino]benzoyl]amino]benzoic acid.
What is the SMILES notation for 4-[[4-[(4-acetamidobenzoyl)amino]benzoyl]amino]benzoic acid?
The canonical SMILES for 4-[[4-[(4-acetamidobenzoyl)amino]benzoyl]amino]benzoic acid is CC(=O)Nc1ccc(C(=O)Nc2ccc(C(=O)Nc3ccc(C(=O)O)cc3)cc2)cc1.
What is the InChIKey of 4-[[4-[(4-acetamidobenzoyl)amino]benzoyl]amino]benzoic acid?
The InChIKey is IMOKYJQFZZDGKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O5/c1-14(27)24-18-8-2-15(3-9-18)21(28)25-19-10-4-16(5-11-19)22(29)26-20-12-6-17(7-13-20)23(30)31/h2-13H,1H3,(H,24,27)(H,25,28)(H,26,29)(H,30,31).
What are the key properties of 4-[[4-[(4-acetamidobenzoyl)amino]benzoyl]amino]benzoic acid?
4-[[4-[(4-acetamidobenzoyl)amino]benzoyl]amino]benzoic acid has a molecular weight of 417.42 g/mol, XLogP of 3.85, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[(4-acetamidobenzoyl)amino]benzoyl]amino]benzoic acid is sourced from PubChem (CID 155141284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).