2-[2-[(3-hydroxyphenyl)carbamoyl]phenyl]benzoic acid

C20H15NO4 — CID 759755

IUPAC2-[2-[(3-hydroxyphenyl)carbamoyl]phenyl]benzoic acid
SMILESO=C(O)c1ccccc1-c1ccccc1C(=O)Nc1cccc(O)c1
InChIInChI=1S/C20H15NO4/c22-14-7-5-6-13(12-14)21-19(23)17-10-3-1-8-15(17)16-9-2-4-11-18(16)20(24)25/h1-12,22H,(H,21,23)(H,24,25)
InChIKeyIFANMHNUPMDDBO-UHFFFAOYSA-N
MW333.34 g/mol
LogP4.01
Rot. Bonds4

About 2-[2-[(3-hydroxyphenyl)carbamoyl]phenyl]benzoic acid

2-[2-[(3-hydroxyphenyl)carbamoyl]phenyl]benzoic acid (PubChem CID 759755) has the molecular formula C20H15NO4 and a molecular weight of 333.34 g/mol. Its IUPAC name is 2-[2-[(3-hydroxyphenyl)carbamoyl]phenyl]benzoic acid.

Molecular Properties

Compound Name2-[2-[(3-hydroxyphenyl)carbamoyl]phenyl]benzoic acid
PubChem CID759755
Molecular FormulaC20H15NO4
Molecular Weight333.34 g/mol
Exact Mass333.10
IUPAC Name2-[2-[(3-hydroxyphenyl)carbamoyl]phenyl]benzoic acid
SMILESO=C(O)c1ccccc1-c1ccccc1C(=O)Nc1cccc(O)c1
InChIInChI=1S/C20H15NO4/c22-14-7-5-6-13(12-14)21-19(23)17-10-3-1-8-15(17)16-9-2-4-11-18(16)20(24)25/h1-12,22H,(H,21,23)(H,24,25)
InChIKeyIFANMHNUPMDDBO-UHFFFAOYSA-N
XLogP4.01
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.34
LogP ≤ 54.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3-hydroxyphenyl)carbamoyl]phenyl]benzoic acid?
The IUPAC name of 2-[2-[(3-hydroxyphenyl)carbamoyl]phenyl]benzoic acid (CID 759755) is 2-[2-[(3-hydroxyphenyl)carbamoyl]phenyl]benzoic acid.
What is the SMILES notation for 2-[2-[(3-hydroxyphenyl)carbamoyl]phenyl]benzoic acid?
The canonical SMILES for 2-[2-[(3-hydroxyphenyl)carbamoyl]phenyl]benzoic acid is O=C(O)c1ccccc1-c1ccccc1C(=O)Nc1cccc(O)c1.
What is the InChIKey of 2-[2-[(3-hydroxyphenyl)carbamoyl]phenyl]benzoic acid?
The InChIKey is IFANMHNUPMDDBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15NO4/c22-14-7-5-6-13(12-14)21-19(23)17-10-3-1-8-15(17)16-9-2-4-11-18(16)20(24)25/h1-12,22H,(H,21,23)(H,24,25).
What are the key properties of 2-[2-[(3-hydroxyphenyl)carbamoyl]phenyl]benzoic acid?
2-[2-[(3-hydroxyphenyl)carbamoyl]phenyl]benzoic acid has a molecular weight of 333.34 g/mol, XLogP of 4.01, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3-hydroxyphenyl)carbamoyl]phenyl]benzoic acid is sourced from PubChem (CID 759755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).