[2-(4-chlorophenyl)pyrrol-1-yl] cyclohexanecarboxylate

C17H18ClNO2 — CID 175100619

IUPAC[2-(4-chlorophenyl)pyrrol-1-yl] cyclohexanecarboxylate
SMILESO=C(On1cccc1-c1ccc(Cl)cc1)C1CCCCC1
InChIInChI=1S/C17H18ClNO2/c18-15-10-8-13(9-11-15)16-7-4-12-19(16)21-17(20)14-5-2-1-3-6-14/h4,7-12,14H,1-3,5-6H2
InChIKeyXBENJZYDEHKCSL-UHFFFAOYSA-N
MW303.79 g/mol
LogP4.34
Rot. Bonds3

About [2-(4-chlorophenyl)pyrrol-1-yl] cyclohexanecarboxylate

[2-(4-chlorophenyl)pyrrol-1-yl] cyclohexanecarboxylate (PubChem CID 175100619) has the molecular formula C17H18ClNO2 and a molecular weight of 303.79 g/mol. Its IUPAC name is [2-(4-chlorophenyl)pyrrol-1-yl] cyclohexanecarboxylate.

Molecular Properties

Compound Name[2-(4-chlorophenyl)pyrrol-1-yl] cyclohexanecarboxylate
PubChem CID175100619
Molecular FormulaC17H18ClNO2
Molecular Weight303.79 g/mol
Exact Mass303.10
IUPAC Name[2-(4-chlorophenyl)pyrrol-1-yl] cyclohexanecarboxylate
SMILESO=C(On1cccc1-c1ccc(Cl)cc1)C1CCCCC1
InChIInChI=1S/C17H18ClNO2/c18-15-10-8-13(9-11-15)16-7-4-12-19(16)21-17(20)14-5-2-1-3-6-14/h4,7-12,14H,1-3,5-6H2
InChIKeyXBENJZYDEHKCSL-UHFFFAOYSA-N
XLogP4.34
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [2-(4-chlorophenyl)pyrrol-1-yl] cyclohexanecarboxylate 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

[4-[4-(cyclohexanecarbonyloxy)phenyl]phenyl] cyclohexanecarboxylate
CID 122549311
(2-sulfanylidene-1-pyridinyl) (1S,8S)-12-oxobicyclo[6.3.1]dodecane-3-carboxylate
CID 10925653
[2-(4-chlorophenyl)phenyl]-cyclohexylmethanone
CID 58080078
(4-phenylphenyl) cyclopentanecarboxylate
CID 1234522
[3-(4-methoxyphenyl)pyrrol-1-yl] cyclohexanecarboxylate
CID 175092476
hydron;phenyl cycloheptanecarboxylate
CID 174768034
[3-(4-phenylphenyl)pyrazolo[4,3-c]pyridin-1-yl] cyclohexanecarboxylate
CID 175205886
cyclohexyl 5-(4-chlorophenyl)pyridine-2-carboxylate
CID 91256169
2-(4-chlorophenyl)-1-cycloheptylethanone
CID 62588703
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-methylcyclohexanecarboxamide
CID 1175967
4-(4-chlorophenyl)-N-cyclohexyl-N-methyl-5-phenyltriazole-2-carboxamide
CID 24955583
[(2R)-2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-cyclohexylmethanone
CID 7347777

Frequently Asked Questions

What is the IUPAC name of [2-(4-chlorophenyl)pyrrol-1-yl] cyclohexanecarboxylate?
The IUPAC name of [2-(4-chlorophenyl)pyrrol-1-yl] cyclohexanecarboxylate (CID 175100619) is [2-(4-chlorophenyl)pyrrol-1-yl] cyclohexanecarboxylate.
What is the SMILES notation for [2-(4-chlorophenyl)pyrrol-1-yl] cyclohexanecarboxylate?
The canonical SMILES for [2-(4-chlorophenyl)pyrrol-1-yl] cyclohexanecarboxylate is O=C(On1cccc1-c1ccc(Cl)cc1)C1CCCCC1.
What is the InChIKey of [2-(4-chlorophenyl)pyrrol-1-yl] cyclohexanecarboxylate?
The InChIKey is XBENJZYDEHKCSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO2/c18-15-10-8-13(9-11-15)16-7-4-12-19(16)21-17(20)14-5-2-1-3-6-14/h4,7-12,14H,1-3,5-6H2.
What are the key properties of [2-(4-chlorophenyl)pyrrol-1-yl] cyclohexanecarboxylate?
[2-(4-chlorophenyl)pyrrol-1-yl] cyclohexanecarboxylate has a molecular weight of 303.79 g/mol, XLogP of 4.34, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chlorophenyl)pyrrol-1-yl] cyclohexanecarboxylate is sourced from PubChem (CID 175100619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).