[2-(cyclohexylmethylamino)-2-oxoethyl] 4-chloro-1H-pyrrole-2-carboxylate

C14H19ClN2O3 — CID 18122851

IUPAC[2-(cyclohexylmethylamino)-2-oxoethyl] 4-chloro-1H-pyrrole-2-carboxylate
SMILESO=C(COC(=O)c1cc(Cl)c[nH]1)NCC1CCCCC1
InChIInChI=1S/C14H19ClN2O3/c15-11-6-12(16-8-11)14(19)20-9-13(18)17-7-10-4-2-1-3-5-10/h6,8,10,16H,1-5,7,9H2,(H,17,18)
InChIKeySCOCGLFNJDTEDN-UHFFFAOYSA-N
MW298.77 g/mol
LogP2.52
Rot. Bonds5

About [2-(cyclohexylmethylamino)-2-oxoethyl] 4-chloro-1H-pyrrole-2-carboxylate

[2-(cyclohexylmethylamino)-2-oxoethyl] 4-chloro-1H-pyrrole-2-carboxylate (PubChem CID 18122851) has the molecular formula C14H19ClN2O3 and a molecular weight of 298.77 g/mol. Its IUPAC name is [2-(cyclohexylmethylamino)-2-oxoethyl] 4-chloro-1H-pyrrole-2-carboxylate.

Molecular Properties

Compound Name[2-(cyclohexylmethylamino)-2-oxoethyl] 4-chloro-1H-pyrrole-2-carboxylate
PubChem CID18122851
Molecular FormulaC14H19ClN2O3
Molecular Weight298.77 g/mol
Exact Mass298.11
IUPAC Name[2-(cyclohexylmethylamino)-2-oxoethyl] 4-chloro-1H-pyrrole-2-carboxylate
SMILESO=C(COC(=O)c1cc(Cl)c[nH]1)NCC1CCCCC1
InChIInChI=1S/C14H19ClN2O3/c15-11-6-12(16-8-11)14(19)20-9-13(18)17-7-10-4-2-1-3-5-10/h6,8,10,16H,1-5,7,9H2,(H,17,18)
InChIKeySCOCGLFNJDTEDN-UHFFFAOYSA-N
XLogP2.52
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [2-(cyclohexylmethylamino)-2-oxoethyl] 4-chloro-1H-pyrrole-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-[cyclohexyl(methyl)amino]-2-oxoethyl] 4-chloro-1H-pyrrole-2-carboxylate
CID 18122871
[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 4-chloro-1H-pyrrole-2-carboxylate
CID 18122852
[2-[(2-methylphenyl)methylamino]-2-oxoethyl] 4-chloro-1H-pyrrole-2-carboxylate
CID 18123042
[2-(cyclohexylmethylamino)-2-oxoethyl] 2-chloro-5-sulfamoylbenzoate
CID 7994086
[2-oxo-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]ethyl] 4-chloro-1H-pyrrole-2-carboxylate
CID 18101019
[2-(cyclohexylmethylamino)-2-oxoethyl] 3-fluorobenzoate
CID 8612564
[2-(cyclohexylmethylamino)-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate
CID 7843883
5-chloro-2-[2-(cyclohexylmethylamino)-2-oxoethoxy]benzamide
CID 9463555
[2-(cyclohexylmethylamino)-2-oxoethyl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate
CID 2580285
[2-[(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-oxoethyl] 4-chloro-1H-pyrrole-2-carboxylate
CID 55425872
[2-(cyclohexylmethylamino)-2-oxoethyl] 3-chloro-6-fluoro-1-benzothiophene-2-carboxylate
CID 2569231
(2-oxo-2-propan-2-yloxyethyl) 4-chloro-1H-pyrrole-2-carboxylate
CID 35710298

Frequently Asked Questions

What is the IUPAC name of [2-(cyclohexylmethylamino)-2-oxoethyl] 4-chloro-1H-pyrrole-2-carboxylate?
The IUPAC name of [2-(cyclohexylmethylamino)-2-oxoethyl] 4-chloro-1H-pyrrole-2-carboxylate (CID 18122851) is [2-(cyclohexylmethylamino)-2-oxoethyl] 4-chloro-1H-pyrrole-2-carboxylate.
What is the SMILES notation for [2-(cyclohexylmethylamino)-2-oxoethyl] 4-chloro-1H-pyrrole-2-carboxylate?
The canonical SMILES for [2-(cyclohexylmethylamino)-2-oxoethyl] 4-chloro-1H-pyrrole-2-carboxylate is O=C(COC(=O)c1cc(Cl)c[nH]1)NCC1CCCCC1.
What is the InChIKey of [2-(cyclohexylmethylamino)-2-oxoethyl] 4-chloro-1H-pyrrole-2-carboxylate?
The InChIKey is SCOCGLFNJDTEDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O3/c15-11-6-12(16-8-11)14(19)20-9-13(18)17-7-10-4-2-1-3-5-10/h6,8,10,16H,1-5,7,9H2,(H,17,18).
What are the key properties of [2-(cyclohexylmethylamino)-2-oxoethyl] 4-chloro-1H-pyrrole-2-carboxylate?
[2-(cyclohexylmethylamino)-2-oxoethyl] 4-chloro-1H-pyrrole-2-carboxylate has a molecular weight of 298.77 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclohexylmethylamino)-2-oxoethyl] 4-chloro-1H-pyrrole-2-carboxylate is sourced from PubChem (CID 18122851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).