4-[4-(benzylamino)benzoyl]benzoic acid

C21H17NO3 — CID 11602388

IUPAC4-[4-(benzylamino)benzoyl]benzoic acid
SMILESO=C(O)c1ccc(C(=O)c2ccc(NCc3ccccc3)cc2)cc1
InChIInChI=1S/C21H17NO3/c23-20(16-6-8-18(9-7-16)21(24)25)17-10-12-19(13-11-17)22-14-15-4-2-1-3-5-15/h1-13,22H,14H2,(H,24,25)
InChIKeyHTOJJEGICHZIJA-UHFFFAOYSA-N
MW331.37 g/mol
LogP4.23
Rot. Bonds6

About 4-[4-(benzylamino)benzoyl]benzoic acid

4-[4-(benzylamino)benzoyl]benzoic acid (PubChem CID 11602388) has the molecular formula C21H17NO3 and a molecular weight of 331.37 g/mol. Its IUPAC name is 4-[4-(benzylamino)benzoyl]benzoic acid.

Molecular Properties

Compound Name4-[4-(benzylamino)benzoyl]benzoic acid
PubChem CID11602388
Molecular FormulaC21H17NO3
Molecular Weight331.37 g/mol
Exact Mass331.12
IUPAC Name4-[4-(benzylamino)benzoyl]benzoic acid
SMILESO=C(O)c1ccc(C(=O)c2ccc(NCc3ccccc3)cc2)cc1
InChIInChI=1S/C21H17NO3/c23-20(16-6-8-18(9-7-16)21(24)25)17-10-12-19(13-11-17)22-14-15-4-2-1-3-5-15/h1-13,22H,14H2,(H,24,25)
InChIKeyHTOJJEGICHZIJA-UHFFFAOYSA-N
XLogP4.23
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(benzylamino)benzoyl]benzoic acid?
The IUPAC name of 4-[4-(benzylamino)benzoyl]benzoic acid (CID 11602388) is 4-[4-(benzylamino)benzoyl]benzoic acid.
What is the SMILES notation for 4-[4-(benzylamino)benzoyl]benzoic acid?
The canonical SMILES for 4-[4-(benzylamino)benzoyl]benzoic acid is O=C(O)c1ccc(C(=O)c2ccc(NCc3ccccc3)cc2)cc1.
What is the InChIKey of 4-[4-(benzylamino)benzoyl]benzoic acid?
The InChIKey is HTOJJEGICHZIJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO3/c23-20(16-6-8-18(9-7-16)21(24)25)17-10-12-19(13-11-17)22-14-15-4-2-1-3-5-15/h1-13,22H,14H2,(H,24,25).
What are the key properties of 4-[4-(benzylamino)benzoyl]benzoic acid?
4-[4-(benzylamino)benzoyl]benzoic acid has a molecular weight of 331.37 g/mol, XLogP of 4.23, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(benzylamino)benzoyl]benzoic acid is sourced from PubChem (CID 11602388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).