2-[(3-hydroxyphenyl)-phenylcarbamoyl]cyclopentene-1-carboxylic acid

C19H17NO4 — CID 91094989

IUPAC2-[(3-hydroxyphenyl)-phenylcarbamoyl]cyclopentene-1-carboxylic acid
SMILESO=C(O)C1=C(C(=O)N(c2ccccc2)c2cccc(O)c2)CCC1
InChIInChI=1S/C19H17NO4/c21-15-9-4-8-14(12-15)20(13-6-2-1-3-7-13)18(22)16-10-5-11-17(16)19(23)24/h1-4,6-9,12,21H,5,10-11H2,(H,23,24)
InChIKeyWMJBGLKAKQZPQI-UHFFFAOYSA-N
MW323.35 g/mol
LogP3.62
Rot. Bonds4

About 2-[(3-hydroxyphenyl)-phenylcarbamoyl]cyclopentene-1-carboxylic acid

2-[(3-hydroxyphenyl)-phenylcarbamoyl]cyclopentene-1-carboxylic acid (PubChem CID 91094989) has the molecular formula C19H17NO4 and a molecular weight of 323.35 g/mol. Its IUPAC name is 2-[(3-hydroxyphenyl)-phenylcarbamoyl]cyclopentene-1-carboxylic acid.

Molecular Properties

Compound Name2-[(3-hydroxyphenyl)-phenylcarbamoyl]cyclopentene-1-carboxylic acid
PubChem CID91094989
Molecular FormulaC19H17NO4
Molecular Weight323.35 g/mol
Exact Mass323.12
IUPAC Name2-[(3-hydroxyphenyl)-phenylcarbamoyl]cyclopentene-1-carboxylic acid
SMILESO=C(O)C1=C(C(=O)N(c2ccccc2)c2cccc(O)c2)CCC1
InChIInChI=1S/C19H17NO4/c21-15-9-4-8-14(12-15)20(13-6-2-1-3-7-13)18(22)16-10-5-11-17(16)19(23)24/h1-4,6-9,12,21H,5,10-11H2,(H,23,24)
InChIKeyWMJBGLKAKQZPQI-UHFFFAOYSA-N
XLogP3.62
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-hydroxyphenyl)-phenylcarbamoyl]cyclopentene-1-carboxylic acid?
The IUPAC name of 2-[(3-hydroxyphenyl)-phenylcarbamoyl]cyclopentene-1-carboxylic acid (CID 91094989) is 2-[(3-hydroxyphenyl)-phenylcarbamoyl]cyclopentene-1-carboxylic acid.
What is the SMILES notation for 2-[(3-hydroxyphenyl)-phenylcarbamoyl]cyclopentene-1-carboxylic acid?
The canonical SMILES for 2-[(3-hydroxyphenyl)-phenylcarbamoyl]cyclopentene-1-carboxylic acid is O=C(O)C1=C(C(=O)N(c2ccccc2)c2cccc(O)c2)CCC1.
What is the InChIKey of 2-[(3-hydroxyphenyl)-phenylcarbamoyl]cyclopentene-1-carboxylic acid?
The InChIKey is WMJBGLKAKQZPQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO4/c21-15-9-4-8-14(12-15)20(13-6-2-1-3-7-13)18(22)16-10-5-11-17(16)19(23)24/h1-4,6-9,12,21H,5,10-11H2,(H,23,24).
What are the key properties of 2-[(3-hydroxyphenyl)-phenylcarbamoyl]cyclopentene-1-carboxylic acid?
2-[(3-hydroxyphenyl)-phenylcarbamoyl]cyclopentene-1-carboxylic acid has a molecular weight of 323.35 g/mol, XLogP of 3.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-hydroxyphenyl)-phenylcarbamoyl]cyclopentene-1-carboxylic acid is sourced from PubChem (CID 91094989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).