[2-(cyclohexylamino)-2-oxoethyl] 2-amino-4-chlorobenzoate

C15H19ClN2O3 — CID 5185520

IUPAC[2-(cyclohexylamino)-2-oxoethyl] 2-amino-4-chlorobenzoate
SMILESNc1cc(Cl)ccc1C(=O)OCC(=O)NC1CCCCC1
InChIInChI=1S/C15H19ClN2O3/c16-10-6-7-12(13(17)8-10)15(20)21-9-14(19)18-11-4-2-1-3-5-11/h6-8,11H,1-5,9,17H2,(H,18,19)
InChIKeyGXEYZUODHGMADA-UHFFFAOYSA-N
MW310.78 g/mol
LogP2.53
Rot. Bonds4

About [2-(cyclohexylamino)-2-oxoethyl] 2-amino-4-chlorobenzoate

[2-(cyclohexylamino)-2-oxoethyl] 2-amino-4-chlorobenzoate (PubChem CID 5185520) has the molecular formula C15H19ClN2O3 and a molecular weight of 310.78 g/mol. Its IUPAC name is [2-(cyclohexylamino)-2-oxoethyl] 2-amino-4-chlorobenzoate.

Molecular Properties

Compound Name[2-(cyclohexylamino)-2-oxoethyl] 2-amino-4-chlorobenzoate
PubChem CID5185520
Molecular FormulaC15H19ClN2O3
Molecular Weight310.78 g/mol
Exact Mass310.11
IUPAC Name[2-(cyclohexylamino)-2-oxoethyl] 2-amino-4-chlorobenzoate
SMILESNc1cc(Cl)ccc1C(=O)OCC(=O)NC1CCCCC1
InChIInChI=1S/C15H19ClN2O3/c16-10-6-7-12(13(17)8-10)15(20)21-9-14(19)18-11-4-2-1-3-5-11/h6-8,11H,1-5,9,17H2,(H,18,19)
InChIKeyGXEYZUODHGMADA-UHFFFAOYSA-N
XLogP2.53
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.78
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-(cyclohexylamino)-2-oxoethyl] 2-amino-4-chlorobenzoate?
The IUPAC name of [2-(cyclohexylamino)-2-oxoethyl] 2-amino-4-chlorobenzoate (CID 5185520) is [2-(cyclohexylamino)-2-oxoethyl] 2-amino-4-chlorobenzoate.
What is the SMILES notation for [2-(cyclohexylamino)-2-oxoethyl] 2-amino-4-chlorobenzoate?
The canonical SMILES for [2-(cyclohexylamino)-2-oxoethyl] 2-amino-4-chlorobenzoate is Nc1cc(Cl)ccc1C(=O)OCC(=O)NC1CCCCC1.
What is the InChIKey of [2-(cyclohexylamino)-2-oxoethyl] 2-amino-4-chlorobenzoate?
The InChIKey is GXEYZUODHGMADA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O3/c16-10-6-7-12(13(17)8-10)15(20)21-9-14(19)18-11-4-2-1-3-5-11/h6-8,11H,1-5,9,17H2,(H,18,19).
What are the key properties of [2-(cyclohexylamino)-2-oxoethyl] 2-amino-4-chlorobenzoate?
[2-(cyclohexylamino)-2-oxoethyl] 2-amino-4-chlorobenzoate has a molecular weight of 310.78 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclohexylamino)-2-oxoethyl] 2-amino-4-chlorobenzoate is sourced from PubChem (CID 5185520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).