3-carbamoyl-5-(4-phenylphenyl)benzoic acid

C20H15NO3 — CID 5287459

IUPAC3-carbamoyl-5-(4-phenylphenyl)benzoic acid
SMILESNC(=O)c1cc(C(=O)O)cc(-c2ccc(-c3ccccc3)cc2)c1
InChIInChI=1S/C20H15NO3/c21-19(22)17-10-16(11-18(12-17)20(23)24)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-12H,(H2,21,22)(H,23,24)
InChIKeyLAZPCGBRHLARSI-UHFFFAOYSA-N
MW317.34 g/mol
LogP3.82
Rot. Bonds4

About 3-carbamoyl-5-(4-phenylphenyl)benzoic acid

3-carbamoyl-5-(4-phenylphenyl)benzoic acid (PubChem CID 5287459) has the molecular formula C20H15NO3 and a molecular weight of 317.34 g/mol. Its IUPAC name is 3-carbamoyl-5-(4-phenylphenyl)benzoic acid.

Molecular Properties

Compound Name3-carbamoyl-5-(4-phenylphenyl)benzoic acid
PubChem CID5287459
Molecular FormulaC20H15NO3
Molecular Weight317.34 g/mol
Exact Mass317.11
IUPAC Name3-carbamoyl-5-(4-phenylphenyl)benzoic acid
SMILESNC(=O)c1cc(C(=O)O)cc(-c2ccc(-c3ccccc3)cc2)c1
InChIInChI=1S/C20H15NO3/c21-19(22)17-10-16(11-18(12-17)20(23)24)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-12H,(H2,21,22)(H,23,24)
InChIKeyLAZPCGBRHLARSI-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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Related Compounds

3-[3-(5-Benzyl-2-carbamoyl-phenyl)phenyl]-2-methyl-propanoic acid
CID 129909859
4-Carbamoylbenzoic acid
CID 506057
3-(5'-Benzyl-2'-Carbamoylbiphenyl-3-Yl)propanoic Acid
CID 121596332
3-[3-(5-Benzyl-2-carbamoylphenyl)phenyl]-2-methylpropanoic acid
CID 141721984
2-[[3-(5-Benzyl-2-carbamoylphenyl)phenyl]methyl]butanoic acid
CID 141721992
3-(4-Carbamoylphenyl)benzoic acid
CID 126484502
8-Carbamoylnaphthalene-1-carboxylic acid
CID 2777172
3-carbamoyl-5-[3-(3-methylphenyl)phenyl]benzoic Acid
CID 10687946
3-[3-(4-Tert-butylphenyl)phenyl]-5-carbamoylbenzoic acid
CID 10690749
3-carbamoyl-5-[3-(4-methylphenyl)phenyl]benzoic Acid
CID 10830342
3-[3-(5-Benzyl-2-carbamoylphenyl)phenyl]-2-cyclopropylpropanoic acid
CID 155523326
4-[[(4-Phenylbenzoyl)amino]methyl]benzoic acid
CID 17171912

Frequently Asked Questions

What is the IUPAC name of 3-carbamoyl-5-(4-phenylphenyl)benzoic acid?
The IUPAC name of 3-carbamoyl-5-(4-phenylphenyl)benzoic acid (CID 5287459) is 3-carbamoyl-5-(4-phenylphenyl)benzoic acid.
What is the SMILES notation for 3-carbamoyl-5-(4-phenylphenyl)benzoic acid?
The canonical SMILES for 3-carbamoyl-5-(4-phenylphenyl)benzoic acid is NC(=O)c1cc(C(=O)O)cc(-c2ccc(-c3ccccc3)cc2)c1.
What is the InChIKey of 3-carbamoyl-5-(4-phenylphenyl)benzoic acid?
The InChIKey is LAZPCGBRHLARSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15NO3/c21-19(22)17-10-16(11-18(12-17)20(23)24)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-12H,(H2,21,22)(H,23,24).
What are the key properties of 3-carbamoyl-5-(4-phenylphenyl)benzoic acid?
3-carbamoyl-5-(4-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-(4-phenylphenyl)benzoic acid is sourced from PubChem (CID 5287459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).