2-[(4-phenoxyphenyl)carbamoyl]benzoic acid

C20H15NO4 — CID 736198

IUPAC2-[(4-phenoxyphenyl)carbamoyl]benzoic acid
SMILESO=C(O)c1ccccc1C(=O)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C20H15NO4/c22-19(17-8-4-5-9-18(17)20(23)24)21-14-10-12-16(13-11-14)25-15-6-2-1-3-7-15/h1-13H,(H,21,22)(H,23,24)
InChIKeyHYCRWYWSIPMWFA-UHFFFAOYSA-N
MW333.34 g/mol
LogP4.43
Rot. Bonds5

About 2-[(4-phenoxyphenyl)carbamoyl]benzoic acid

2-[(4-phenoxyphenyl)carbamoyl]benzoic acid (PubChem CID 736198) has the molecular formula C20H15NO4 and a molecular weight of 333.34 g/mol. Its IUPAC name is 2-[(4-phenoxyphenyl)carbamoyl]benzoic acid.

Molecular Properties

Compound Name2-[(4-phenoxyphenyl)carbamoyl]benzoic acid
PubChem CID736198
Molecular FormulaC20H15NO4
Molecular Weight333.34 g/mol
Exact Mass333.10
IUPAC Name2-[(4-phenoxyphenyl)carbamoyl]benzoic acid
SMILESO=C(O)c1ccccc1C(=O)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C20H15NO4/c22-19(17-8-4-5-9-18(17)20(23)24)21-14-10-12-16(13-11-14)25-15-6-2-1-3-7-15/h1-13H,(H,21,22)(H,23,24)
InChIKeyHYCRWYWSIPMWFA-UHFFFAOYSA-N
XLogP4.43
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.34
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-phenoxyphenyl)carbamoyl]benzoic acid?
The IUPAC name of 2-[(4-phenoxyphenyl)carbamoyl]benzoic acid (CID 736198) is 2-[(4-phenoxyphenyl)carbamoyl]benzoic acid.
What is the SMILES notation for 2-[(4-phenoxyphenyl)carbamoyl]benzoic acid?
The canonical SMILES for 2-[(4-phenoxyphenyl)carbamoyl]benzoic acid is O=C(O)c1ccccc1C(=O)Nc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 2-[(4-phenoxyphenyl)carbamoyl]benzoic acid?
The InChIKey is HYCRWYWSIPMWFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15NO4/c22-19(17-8-4-5-9-18(17)20(23)24)21-14-10-12-16(13-11-14)25-15-6-2-1-3-7-15/h1-13H,(H,21,22)(H,23,24).
What are the key properties of 2-[(4-phenoxyphenyl)carbamoyl]benzoic acid?
2-[(4-phenoxyphenyl)carbamoyl]benzoic acid has a molecular weight of 333.34 g/mol, XLogP of 4.43, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-phenoxyphenyl)carbamoyl]benzoic acid is sourced from PubChem (CID 736198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).