3-(4-carbamoylphenyl)benzoic acid

C14H11NO3 — CID 126484502

IUPAC3-(4-carbamoylphenyl)benzoic acid
SMILESNC(=O)c1ccc(-c2cccc(C(=O)O)c2)cc1
InChIInChI=1S/C14H11NO3/c15-13(16)10-6-4-9(5-7-10)11-2-1-3-12(8-11)14(17)18/h1-8H,(H2,15,16)(H,17,18)
InChIKeyNZYMBNSXWYJPEG-UHFFFAOYSA-N
MW241.25 g/mol
LogP2.15
Rot. Bonds3

About 3-(4-carbamoylphenyl)benzoic acid

3-(4-carbamoylphenyl)benzoic acid (PubChem CID 126484502) has the molecular formula C14H11NO3 and a molecular weight of 241.25 g/mol. Its IUPAC name is 3-(4-carbamoylphenyl)benzoic acid.

Molecular Properties

Compound Name3-(4-carbamoylphenyl)benzoic acid
PubChem CID126484502
Molecular FormulaC14H11NO3
Molecular Weight241.25 g/mol
Exact Mass241.07
IUPAC Name3-(4-carbamoylphenyl)benzoic acid
SMILESNC(=O)c1ccc(-c2cccc(C(=O)O)c2)cc1
InChIInChI=1S/C14H11NO3/c15-13(16)10-6-4-9(5-7-10)11-2-1-3-12(8-11)14(17)18/h1-8H,(H2,15,16)(H,17,18)
InChIKeyNZYMBNSXWYJPEG-UHFFFAOYSA-N
XLogP2.15
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-carbamoylphenyl)benzoic acid?
The IUPAC name of 3-(4-carbamoylphenyl)benzoic acid (CID 126484502) is 3-(4-carbamoylphenyl)benzoic acid.
What is the SMILES notation for 3-(4-carbamoylphenyl)benzoic acid?
The canonical SMILES for 3-(4-carbamoylphenyl)benzoic acid is NC(=O)c1ccc(-c2cccc(C(=O)O)c2)cc1.
What is the InChIKey of 3-(4-carbamoylphenyl)benzoic acid?
The InChIKey is NZYMBNSXWYJPEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO3/c15-13(16)10-6-4-9(5-7-10)11-2-1-3-12(8-11)14(17)18/h1-8H,(H2,15,16)(H,17,18).
What are the key properties of 3-(4-carbamoylphenyl)benzoic acid?
3-(4-carbamoylphenyl)benzoic acid has a molecular weight of 241.25 g/mol, XLogP of 2.15, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-carbamoylphenyl)benzoic acid is sourced from PubChem (CID 126484502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).