4-chloro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-1-propylpyrrole-2-carboxamide

C16H25ClN2O2 — CID 62526339

IUPAC4-chloro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-1-propylpyrrole-2-carboxamide
SMILESCCCn1cc(Cl)cc1C(=O)NC1(CO)CCCC(C)C1
InChIInChI=1S/C16H25ClN2O2/c1-3-7-19-10-13(17)8-14(19)15(21)18-16(11-20)6-4-5-12(2)9-16/h8,10,12,20H,3-7,9,11H2,1-2H3,(H,18,21)
InChIKeyUKQKCIHQGVOOIZ-UHFFFAOYSA-N
MW312.84 g/mol
LogP3.22
Rot. Bonds5

About 4-chloro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-1-propylpyrrole-2-carboxamide

4-chloro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-1-propylpyrrole-2-carboxamide (PubChem CID 62526339) has the molecular formula C16H25ClN2O2 and a molecular weight of 312.84 g/mol. Its IUPAC name is 4-chloro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-1-propylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-1-propylpyrrole-2-carboxamide
PubChem CID62526339
Molecular FormulaC16H25ClN2O2
Molecular Weight312.84 g/mol
Exact Mass312.16
IUPAC Name4-chloro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-1-propylpyrrole-2-carboxamide
SMILESCCCn1cc(Cl)cc1C(=O)NC1(CO)CCCC(C)C1
InChIInChI=1S/C16H25ClN2O2/c1-3-7-19-10-13(17)8-14(19)15(21)18-16(11-20)6-4-5-12(2)9-16/h8,10,12,20H,3-7,9,11H2,1-2H3,(H,18,21)
InChIKeyUKQKCIHQGVOOIZ-UHFFFAOYSA-N
XLogP3.22
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.84
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-chloro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-1-propylpyrrole-2-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-1-propylpyrrole-2-carboxamide?
The IUPAC name of 4-chloro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-1-propylpyrrole-2-carboxamide (CID 62526339) is 4-chloro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-1-propylpyrrole-2-carboxamide.
What is the SMILES notation for 4-chloro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-1-propylpyrrole-2-carboxamide?
The canonical SMILES for 4-chloro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-1-propylpyrrole-2-carboxamide is CCCn1cc(Cl)cc1C(=O)NC1(CO)CCCC(C)C1.
What is the InChIKey of 4-chloro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-1-propylpyrrole-2-carboxamide?
The InChIKey is UKQKCIHQGVOOIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2O2/c1-3-7-19-10-13(17)8-14(19)15(21)18-16(11-20)6-4-5-12(2)9-16/h8,10,12,20H,3-7,9,11H2,1-2H3,(H,18,21).
What are the key properties of 4-chloro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-1-propylpyrrole-2-carboxamide?
4-chloro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-1-propylpyrrole-2-carboxamide has a molecular weight of 312.84 g/mol, XLogP of 3.22, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-1-propylpyrrole-2-carboxamide is sourced from PubChem (CID 62526339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).