[2-(2-chloroanilino)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate

C17H21ClN2O4 — CID 2547325

IUPAC[2-(2-chloroanilino)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate
SMILESO=C(COC(=O)CNC(=O)C1CCCCC1)Nc1ccccc1Cl
InChIInChI=1S/C17H21ClN2O4/c18-13-8-4-5-9-14(13)20-15(21)11-24-16(22)10-19-17(23)12-6-2-1-3-7-12/h4-5,8-9,12H,1-3,6-7,10-11H2,(H,19,23)(H,20,21)
InChIKeyRULALXOMQARGQG-UHFFFAOYSA-N
MW352.82 g/mol
LogP2.52
Rot. Bonds6

About [2-(2-chloroanilino)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate

[2-(2-chloroanilino)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate (PubChem CID 2547325) has the molecular formula C17H21ClN2O4 and a molecular weight of 352.82 g/mol. Its IUPAC name is [2-(2-chloroanilino)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate.

Molecular Properties

Compound Name[2-(2-chloroanilino)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate
PubChem CID2547325
Molecular FormulaC17H21ClN2O4
Molecular Weight352.82 g/mol
Exact Mass352.12
IUPAC Name[2-(2-chloroanilino)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate
SMILESO=C(COC(=O)CNC(=O)C1CCCCC1)Nc1ccccc1Cl
InChIInChI=1S/C17H21ClN2O4/c18-13-8-4-5-9-14(13)20-15(21)11-24-16(22)10-19-17(23)12-6-2-1-3-7-12/h4-5,8-9,12H,1-3,6-7,10-11H2,(H,19,23)(H,20,21)
InChIKeyRULALXOMQARGQG-UHFFFAOYSA-N
XLogP2.52
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.82
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(2-chloroanilino)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate?
The IUPAC name of [2-(2-chloroanilino)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate (CID 2547325) is [2-(2-chloroanilino)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate.
What is the SMILES notation for [2-(2-chloroanilino)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate?
The canonical SMILES for [2-(2-chloroanilino)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate is O=C(COC(=O)CNC(=O)C1CCCCC1)Nc1ccccc1Cl.
What is the InChIKey of [2-(2-chloroanilino)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate?
The InChIKey is RULALXOMQARGQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O4/c18-13-8-4-5-9-14(13)20-15(21)11-24-16(22)10-19-17(23)12-6-2-1-3-7-12/h4-5,8-9,12H,1-3,6-7,10-11H2,(H,19,23)(H,20,21).
What are the key properties of [2-(2-chloroanilino)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate?
[2-(2-chloroanilino)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate has a molecular weight of 352.82 g/mol, XLogP of 2.52, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-chloroanilino)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate is sourced from PubChem (CID 2547325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).