6-(benzylcarbamoyl)-4-chlorocyclohex-3-ene-1-carboxylic acid

C15H16ClNO3 — CID 2937188

IUPAC6-(benzylcarbamoyl)-4-chlorocyclohex-3-ene-1-carboxylic acid
SMILESO=C(O)C1CC=C(Cl)CC1C(=O)NCc1ccccc1
InChIInChI=1S/C15H16ClNO3/c16-11-6-7-12(15(19)20)13(8-11)14(18)17-9-10-4-2-1-3-5-10/h1-6,12-13H,7-9H2,(H,17,18)(H,19,20)
InChIKeyOHBWIMGUSXHAER-UHFFFAOYSA-N
MW293.75 g/mol
LogP2.54
Rot. Bonds4

About 6-(benzylcarbamoyl)-4-chlorocyclohex-3-ene-1-carboxylic acid

6-(benzylcarbamoyl)-4-chlorocyclohex-3-ene-1-carboxylic acid (PubChem CID 2937188) has the molecular formula C15H16ClNO3 and a molecular weight of 293.75 g/mol. Its IUPAC name is 6-(benzylcarbamoyl)-4-chlorocyclohex-3-ene-1-carboxylic acid.

Molecular Properties

Compound Name6-(benzylcarbamoyl)-4-chlorocyclohex-3-ene-1-carboxylic acid
PubChem CID2937188
Molecular FormulaC15H16ClNO3
Molecular Weight293.75 g/mol
Exact Mass293.08
IUPAC Name6-(benzylcarbamoyl)-4-chlorocyclohex-3-ene-1-carboxylic acid
SMILESO=C(O)C1CC=C(Cl)CC1C(=O)NCc1ccccc1
InChIInChI=1S/C15H16ClNO3/c16-11-6-7-12(15(19)20)13(8-11)14(18)17-9-10-4-2-1-3-5-10/h1-6,12-13H,7-9H2,(H,17,18)(H,19,20)
InChIKeyOHBWIMGUSXHAER-UHFFFAOYSA-N
XLogP2.54
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.75
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(benzylcarbamoyl)-4-chlorocyclohex-3-ene-1-carboxylic acid?
The IUPAC name of 6-(benzylcarbamoyl)-4-chlorocyclohex-3-ene-1-carboxylic acid (CID 2937188) is 6-(benzylcarbamoyl)-4-chlorocyclohex-3-ene-1-carboxylic acid.
What is the SMILES notation for 6-(benzylcarbamoyl)-4-chlorocyclohex-3-ene-1-carboxylic acid?
The canonical SMILES for 6-(benzylcarbamoyl)-4-chlorocyclohex-3-ene-1-carboxylic acid is O=C(O)C1CC=C(Cl)CC1C(=O)NCc1ccccc1.
What is the InChIKey of 6-(benzylcarbamoyl)-4-chlorocyclohex-3-ene-1-carboxylic acid?
The InChIKey is OHBWIMGUSXHAER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO3/c16-11-6-7-12(15(19)20)13(8-11)14(18)17-9-10-4-2-1-3-5-10/h1-6,12-13H,7-9H2,(H,17,18)(H,19,20).
What are the key properties of 6-(benzylcarbamoyl)-4-chlorocyclohex-3-ene-1-carboxylic acid?
6-(benzylcarbamoyl)-4-chlorocyclohex-3-ene-1-carboxylic acid has a molecular weight of 293.75 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(benzylcarbamoyl)-4-chlorocyclohex-3-ene-1-carboxylic acid is sourced from PubChem (CID 2937188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).