4-[[2-[[2-(4-chlorophenyl)acetyl]amino]benzoyl]amino]benzoic acid

C22H17ClN2O4 — CID 1331432

IUPAC4-[[2-[[2-(4-chlorophenyl)acetyl]amino]benzoyl]amino]benzoic acid
SMILESO=C(Cc1ccc(Cl)cc1)Nc1ccccc1C(=O)Nc1ccc(C(=O)O)cc1
InChIInChI=1S/C22H17ClN2O4/c23-16-9-5-14(6-10-16)13-20(26)25-19-4-2-1-3-18(19)21(27)24-17-11-7-15(8-12-17)22(28)29/h1-12H,13H2,(H,24,27)(H,25,26)(H,28,29)
InChIKeyPZZPNVLOWGWYIW-UHFFFAOYSA-N
MW408.84 g/mol
LogP4.47
Rot. Bonds6

About 4-[[2-[[2-(4-chlorophenyl)acetyl]amino]benzoyl]amino]benzoic acid

4-[[2-[[2-(4-chlorophenyl)acetyl]amino]benzoyl]amino]benzoic acid (PubChem CID 1331432) has the molecular formula C22H17ClN2O4 and a molecular weight of 408.84 g/mol. Its IUPAC name is 4-[[2-[[2-(4-chlorophenyl)acetyl]amino]benzoyl]amino]benzoic acid.

Molecular Properties

Compound Name4-[[2-[[2-(4-chlorophenyl)acetyl]amino]benzoyl]amino]benzoic acid
PubChem CID1331432
Molecular FormulaC22H17ClN2O4
Molecular Weight408.84 g/mol
Exact Mass408.09
IUPAC Name4-[[2-[[2-(4-chlorophenyl)acetyl]amino]benzoyl]amino]benzoic acid
SMILESO=C(Cc1ccc(Cl)cc1)Nc1ccccc1C(=O)Nc1ccc(C(=O)O)cc1
InChIInChI=1S/C22H17ClN2O4/c23-16-9-5-14(6-10-16)13-20(26)25-19-4-2-1-3-18(19)21(27)24-17-11-7-15(8-12-17)22(28)29/h1-12H,13H2,(H,24,27)(H,25,26)(H,28,29)
InChIKeyPZZPNVLOWGWYIW-UHFFFAOYSA-N
XLogP4.47
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.84
LogP ≤ 54.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-[[2-(4-chlorophenyl)acetyl]amino]benzoyl]amino]benzoic acid?
The IUPAC name of 4-[[2-[[2-(4-chlorophenyl)acetyl]amino]benzoyl]amino]benzoic acid (CID 1331432) is 4-[[2-[[2-(4-chlorophenyl)acetyl]amino]benzoyl]amino]benzoic acid.
What is the SMILES notation for 4-[[2-[[2-(4-chlorophenyl)acetyl]amino]benzoyl]amino]benzoic acid?
The canonical SMILES for 4-[[2-[[2-(4-chlorophenyl)acetyl]amino]benzoyl]amino]benzoic acid is O=C(Cc1ccc(Cl)cc1)Nc1ccccc1C(=O)Nc1ccc(C(=O)O)cc1.
What is the InChIKey of 4-[[2-[[2-(4-chlorophenyl)acetyl]amino]benzoyl]amino]benzoic acid?
The InChIKey is PZZPNVLOWGWYIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN2O4/c23-16-9-5-14(6-10-16)13-20(26)25-19-4-2-1-3-18(19)21(27)24-17-11-7-15(8-12-17)22(28)29/h1-12H,13H2,(H,24,27)(H,25,26)(H,28,29).
What are the key properties of 4-[[2-[[2-(4-chlorophenyl)acetyl]amino]benzoyl]amino]benzoic acid?
4-[[2-[[2-(4-chlorophenyl)acetyl]amino]benzoyl]amino]benzoic acid has a molecular weight of 408.84 g/mol, XLogP of 4.47, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[[2-(4-chlorophenyl)acetyl]amino]benzoyl]amino]benzoic acid is sourced from PubChem (CID 1331432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).