3-[[4-(2H-tetrazol-5-yl)benzoyl]amino]benzoic acid

C15H11N5O3 — CID 23540951

IUPAC3-[[4-(2H-tetrazol-5-yl)benzoyl]amino]benzoic acid
SMILESO=C(O)c1cccc(NC(=O)c2ccc(-c3nn[nH]n3)cc2)c1
InChIInChI=1S/C15H11N5O3/c21-14(16-12-3-1-2-11(8-12)15(22)23)10-6-4-9(5-7-10)13-17-19-20-18-13/h1-8H,(H,16,21)(H,22,23)(H,17,18,19,20)
InChIKeyZGPCURSTLLGHAP-UHFFFAOYSA-N
MW309.29 g/mol
LogP1.82
Rot. Bonds4

About 3-[[4-(2H-tetrazol-5-yl)benzoyl]amino]benzoic acid

3-[[4-(2H-tetrazol-5-yl)benzoyl]amino]benzoic acid (PubChem CID 23540951) has the molecular formula C15H11N5O3 and a molecular weight of 309.29 g/mol. Its IUPAC name is 3-[[4-(2H-tetrazol-5-yl)benzoyl]amino]benzoic acid.

Molecular Properties

Compound Name3-[[4-(2H-tetrazol-5-yl)benzoyl]amino]benzoic acid
PubChem CID23540951
Molecular FormulaC15H11N5O3
Molecular Weight309.29 g/mol
Exact Mass309.09
IUPAC Name3-[[4-(2H-tetrazol-5-yl)benzoyl]amino]benzoic acid
SMILESO=C(O)c1cccc(NC(=O)c2ccc(-c3nn[nH]n3)cc2)c1
InChIInChI=1S/C15H11N5O3/c21-14(16-12-3-1-2-11(8-12)15(22)23)10-6-4-9(5-7-10)13-17-19-20-18-13/h1-8H,(H,16,21)(H,22,23)(H,17,18,19,20)
InChIKeyZGPCURSTLLGHAP-UHFFFAOYSA-N
XLogP1.82
TPSA120.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.29
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-(2H-tetrazol-5-yl)benzoyl]amino]benzoic acid?
The IUPAC name of 3-[[4-(2H-tetrazol-5-yl)benzoyl]amino]benzoic acid (CID 23540951) is 3-[[4-(2H-tetrazol-5-yl)benzoyl]amino]benzoic acid.
What is the SMILES notation for 3-[[4-(2H-tetrazol-5-yl)benzoyl]amino]benzoic acid?
The canonical SMILES for 3-[[4-(2H-tetrazol-5-yl)benzoyl]amino]benzoic acid is O=C(O)c1cccc(NC(=O)c2ccc(-c3nn[nH]n3)cc2)c1.
What is the InChIKey of 3-[[4-(2H-tetrazol-5-yl)benzoyl]amino]benzoic acid?
The InChIKey is ZGPCURSTLLGHAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N5O3/c21-14(16-12-3-1-2-11(8-12)15(22)23)10-6-4-9(5-7-10)13-17-19-20-18-13/h1-8H,(H,16,21)(H,22,23)(H,17,18,19,20).
What are the key properties of 3-[[4-(2H-tetrazol-5-yl)benzoyl]amino]benzoic acid?
3-[[4-(2H-tetrazol-5-yl)benzoyl]amino]benzoic acid has a molecular weight of 309.29 g/mol, XLogP of 1.82, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(2H-tetrazol-5-yl)benzoyl]amino]benzoic acid is sourced from PubChem (CID 23540951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).