3-carbamoyl-5-(3-phenylphenyl)benzoic acid

C20H15NO3 — CID 10852951

IUPAC3-carbamoyl-5-(3-phenylphenyl)benzoic acid
SMILESNC(=O)c1cc(C(=O)O)cc(-c2cccc(-c3ccccc3)c2)c1
InChIInChI=1S/C20H15NO3/c21-19(22)17-10-16(11-18(12-17)20(23)24)15-8-4-7-14(9-15)13-5-2-1-3-6-13/h1-12H,(H2,21,22)(H,23,24)
InChIKeyWFVDZJNQNZHTDG-UHFFFAOYSA-N
MW317.34 g/mol
LogP3.82
Rot. Bonds4

About 3-carbamoyl-5-(3-phenylphenyl)benzoic acid

3-carbamoyl-5-(3-phenylphenyl)benzoic acid (PubChem CID 10852951) has the molecular formula C20H15NO3 and a molecular weight of 317.34 g/mol. Its IUPAC name is 3-carbamoyl-5-(3-phenylphenyl)benzoic acid.

Molecular Properties

Compound Name3-carbamoyl-5-(3-phenylphenyl)benzoic acid
PubChem CID10852951
Molecular FormulaC20H15NO3
Molecular Weight317.34 g/mol
Exact Mass317.11
IUPAC Name3-carbamoyl-5-(3-phenylphenyl)benzoic acid
SMILESNC(=O)c1cc(C(=O)O)cc(-c2cccc(-c3ccccc3)c2)c1
InChIInChI=1S/C20H15NO3/c21-19(22)17-10-16(11-18(12-17)20(23)24)15-8-4-7-14(9-15)13-5-2-1-3-6-13/h1-12H,(H2,21,22)(H,23,24)
InChIKeyWFVDZJNQNZHTDG-UHFFFAOYSA-N
XLogP3.82
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.34
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-carbamoyl-5-(3-phenylphenyl)benzoic acid?
The IUPAC name of 3-carbamoyl-5-(3-phenylphenyl)benzoic acid (CID 10852951) is 3-carbamoyl-5-(3-phenylphenyl)benzoic acid.
What is the SMILES notation for 3-carbamoyl-5-(3-phenylphenyl)benzoic acid?
The canonical SMILES for 3-carbamoyl-5-(3-phenylphenyl)benzoic acid is NC(=O)c1cc(C(=O)O)cc(-c2cccc(-c3ccccc3)c2)c1.
What is the InChIKey of 3-carbamoyl-5-(3-phenylphenyl)benzoic acid?
The InChIKey is WFVDZJNQNZHTDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15NO3/c21-19(22)17-10-16(11-18(12-17)20(23)24)15-8-4-7-14(9-15)13-5-2-1-3-6-13/h1-12H,(H2,21,22)(H,23,24).
What are the key properties of 3-carbamoyl-5-(3-phenylphenyl)benzoic acid?
3-carbamoyl-5-(3-phenylphenyl)benzoic acid has a molecular weight of 317.34 g/mol, XLogP of 3.82, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carbamoyl-5-(3-phenylphenyl)benzoic acid is sourced from PubChem (CID 10852951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).