3-[[3-[(3-chlorobenzoyl)amino]benzoyl]amino]benzoate

C21H14ClN2O4- — CID 3383614

IUPAC3-[[3-[(3-chlorobenzoyl)amino]benzoyl]amino]benzoate
SMILESO=C([O-])c1cccc(NC(=O)c2cccc(NC(=O)c3cccc(Cl)c3)c2)c1
InChIInChI=1S/C21H15ClN2O4/c22-16-7-1-4-13(10-16)19(25)23-17-8-2-5-14(11-17)20(26)24-18-9-3-6-15(12-18)21(27)28/h1-12H,(H,23,25)(H,24,26)(H,27,28)/p-1
InChIKeyKTNNRJGXVBROKF-UHFFFAOYSA-M
MW393.81 g/mol
LogP3.21
Rot. Bonds5

About 3-[[3-[(3-chlorobenzoyl)amino]benzoyl]amino]benzoate

3-[[3-[(3-chlorobenzoyl)amino]benzoyl]amino]benzoate (PubChem CID 3383614) has the molecular formula C21H14ClN2O4- and a molecular weight of 393.81 g/mol. Its IUPAC name is 3-[[3-[(3-chlorobenzoyl)amino]benzoyl]amino]benzoate.

Molecular Properties

Compound Name3-[[3-[(3-chlorobenzoyl)amino]benzoyl]amino]benzoate
PubChem CID3383614
Molecular FormulaC21H14ClN2O4-
Molecular Weight393.81 g/mol
Exact Mass393.06
IUPAC Name3-[[3-[(3-chlorobenzoyl)amino]benzoyl]amino]benzoate
SMILESO=C([O-])c1cccc(NC(=O)c2cccc(NC(=O)c3cccc(Cl)c3)c2)c1
InChIInChI=1S/C21H15ClN2O4/c22-16-7-1-4-13(10-16)19(25)23-17-8-2-5-14(11-17)20(26)24-18-9-3-6-15(12-18)21(27)28/h1-12H,(H,23,25)(H,24,26)(H,27,28)/p-1
InChIKeyKTNNRJGXVBROKF-UHFFFAOYSA-M
XLogP3.21
TPSA98.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.81
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-[3-[(3-chlorobenzoyl)amino]phenyl]benzamide
CID 1369981
N-(3-acetamidophenyl)-3-chlorobenzamide
CID 669190
3-N-(3-chlorophenyl)benzene-1,3-dicarboxamide
CID 35554073
3-chloro-N-(3-methylphenyl)benzamide
CID 722373
3-chloro-N-pyridin-4-ylbenzamide
CID 849128
N-(3-chlorophenyl)-3H-benzimidazole-5-carboxamide
CID 18847548
N-[3-[(3-chlorobenzoyl)amino]phenyl]naphthalene-2-carboxamide
CID 1366118
3-chloro-N-[3-(2,2-dimethylpropanoylamino)phenyl]benzamide
CID 17102477
N-(3-chlorophenyl)-3-(dimethylamino)benzamide
CID 690525
3-chloro-N-(3-sulfamoylphenyl)benzamide
CID 26580558
3-chloro-N-[3-(sulfamoylamino)phenyl]benzamide
CID 60729874
3-chloro-N-[3-[(1S)-1-hydroxyethyl]phenyl]benzamide
CID 27209859

Frequently Asked Questions

What is the IUPAC name of 3-[[3-[(3-chlorobenzoyl)amino]benzoyl]amino]benzoate?
The IUPAC name of 3-[[3-[(3-chlorobenzoyl)amino]benzoyl]amino]benzoate (CID 3383614) is 3-[[3-[(3-chlorobenzoyl)amino]benzoyl]amino]benzoate.
What is the SMILES notation for 3-[[3-[(3-chlorobenzoyl)amino]benzoyl]amino]benzoate?
The canonical SMILES for 3-[[3-[(3-chlorobenzoyl)amino]benzoyl]amino]benzoate is O=C([O-])c1cccc(NC(=O)c2cccc(NC(=O)c3cccc(Cl)c3)c2)c1.
What is the InChIKey of 3-[[3-[(3-chlorobenzoyl)amino]benzoyl]amino]benzoate?
The InChIKey is KTNNRJGXVBROKF-UHFFFAOYSA-M. The full InChI is InChI=1S/C21H15ClN2O4/c22-16-7-1-4-13(10-16)19(25)23-17-8-2-5-14(11-17)20(26)24-18-9-3-6-15(12-18)21(27)28/h1-12H,(H,23,25)(H,24,26)(H,27,28)/p-1.
What are the key properties of 3-[[3-[(3-chlorobenzoyl)amino]benzoyl]amino]benzoate?
3-[[3-[(3-chlorobenzoyl)amino]benzoyl]amino]benzoate has a molecular weight of 393.81 g/mol, XLogP of 3.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-[(3-chlorobenzoyl)amino]benzoyl]amino]benzoate is sourced from PubChem (CID 3383614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).