[2-[cyclohexyl(methyl)amino]-2-oxoethyl] 4-chloro-1H-pyrrole-2-carboxylate

C14H19ClN2O3 — CID 18122871

IUPAC[2-[cyclohexyl(methyl)amino]-2-oxoethyl] 4-chloro-1H-pyrrole-2-carboxylate
SMILESCN(C(=O)COC(=O)c1cc(Cl)c[nH]1)C1CCCCC1
InChIInChI=1S/C14H19ClN2O3/c1-17(11-5-3-2-4-6-11)13(18)9-20-14(19)12-7-10(15)8-16-12/h7-8,11,16H,2-6,9H2,1H3
InChIKeyAMLVQLSVSSMNCB-UHFFFAOYSA-N
MW298.77 g/mol
LogP2.62
Rot. Bonds4

About [2-[cyclohexyl(methyl)amino]-2-oxoethyl] 4-chloro-1H-pyrrole-2-carboxylate

[2-[cyclohexyl(methyl)amino]-2-oxoethyl] 4-chloro-1H-pyrrole-2-carboxylate (PubChem CID 18122871) has the molecular formula C14H19ClN2O3 and a molecular weight of 298.77 g/mol. Its IUPAC name is [2-[cyclohexyl(methyl)amino]-2-oxoethyl] 4-chloro-1H-pyrrole-2-carboxylate.

Molecular Properties

Compound Name[2-[cyclohexyl(methyl)amino]-2-oxoethyl] 4-chloro-1H-pyrrole-2-carboxylate
PubChem CID18122871
Molecular FormulaC14H19ClN2O3
Molecular Weight298.77 g/mol
Exact Mass298.11
IUPAC Name[2-[cyclohexyl(methyl)amino]-2-oxoethyl] 4-chloro-1H-pyrrole-2-carboxylate
SMILESCN(C(=O)COC(=O)c1cc(Cl)c[nH]1)C1CCCCC1
InChIInChI=1S/C14H19ClN2O3/c1-17(11-5-3-2-4-6-11)13(18)9-20-14(19)12-7-10(15)8-16-12/h7-8,11,16H,2-6,9H2,1H3
InChIKeyAMLVQLSVSSMNCB-UHFFFAOYSA-N
XLogP2.62
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(cyclohexylmethylamino)-2-oxoethyl] 4-chloro-1H-pyrrole-2-carboxylate
CID 18122851
[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 4-chloro-1H-pyrrole-2-carboxylate
CID 18122852
[2-[cyclohexyl(methyl)amino]-2-oxoethyl] 2-iodobenzoate
CID 71823696
[2-[cyclohexyl(methyl)amino]-2-oxoethyl] 3-chloro-4,5-dimethoxybenzoate
CID 2499758
[2-[cyclohexyl(methyl)amino]-2-oxoethyl] 4-formylbenzoate
CID 23768227
2-(4-chlorophenoxy)-N-cycloheptyl-N-methylacetamide
CID 55468954
[2-[cyclohexyl(methyl)amino]-2-oxoethyl] 4-(2-oxo-2-phenylacetyl)benzoate
CID 7043290
[2-[cyclohexyl(methyl)amino]-2-oxoethyl] 2-fluorobenzoate
CID 23931327
(2-oxo-2-propan-2-yloxyethyl) 4-chloro-1H-pyrrole-2-carboxylate
CID 35710298
4-amino-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-N-methyl-1H-pyrrole-2-carboxamide
CID 61109567
[2-[cyclohexyl(methyl)amino]-2-oxoethyl] 4-chloro-3-piperidin-1-ylsulfonylbenzoate
CID 4877834
[2-[cyclohexyl(methyl)amino]-2-oxoethyl] 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate
CID 2597843

Frequently Asked Questions

What is the IUPAC name of [2-[cyclohexyl(methyl)amino]-2-oxoethyl] 4-chloro-1H-pyrrole-2-carboxylate?
The IUPAC name of [2-[cyclohexyl(methyl)amino]-2-oxoethyl] 4-chloro-1H-pyrrole-2-carboxylate (CID 18122871) is [2-[cyclohexyl(methyl)amino]-2-oxoethyl] 4-chloro-1H-pyrrole-2-carboxylate.
What is the SMILES notation for [2-[cyclohexyl(methyl)amino]-2-oxoethyl] 4-chloro-1H-pyrrole-2-carboxylate?
The canonical SMILES for [2-[cyclohexyl(methyl)amino]-2-oxoethyl] 4-chloro-1H-pyrrole-2-carboxylate is CN(C(=O)COC(=O)c1cc(Cl)c[nH]1)C1CCCCC1.
What is the InChIKey of [2-[cyclohexyl(methyl)amino]-2-oxoethyl] 4-chloro-1H-pyrrole-2-carboxylate?
The InChIKey is AMLVQLSVSSMNCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O3/c1-17(11-5-3-2-4-6-11)13(18)9-20-14(19)12-7-10(15)8-16-12/h7-8,11,16H,2-6,9H2,1H3.
What are the key properties of [2-[cyclohexyl(methyl)amino]-2-oxoethyl] 4-chloro-1H-pyrrole-2-carboxylate?
[2-[cyclohexyl(methyl)amino]-2-oxoethyl] 4-chloro-1H-pyrrole-2-carboxylate has a molecular weight of 298.77 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[cyclohexyl(methyl)amino]-2-oxoethyl] 4-chloro-1H-pyrrole-2-carboxylate is sourced from PubChem (CID 18122871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).