4-(2-chlorophenyl)-1-(3-hydroxypropyl)-2-methyl-5-pentylpyrrole-3-carboxamide

C20H27ClN2O2 — CID 3857314

IUPAC4-(2-chlorophenyl)-1-(3-hydroxypropyl)-2-methyl-5-pentylpyrrole-3-carboxamide
SMILESCCCCCc1c(-c2ccccc2Cl)c(C(N)=O)c(C)n1CCCO
InChIInChI=1S/C20H27ClN2O2/c1-3-4-5-11-17-19(15-9-6-7-10-16(15)21)18(20(22)25)14(2)23(17)12-8-13-24/h6-7,9-10,24H,3-5,8,11-13H2,1-2H3,(H2,22,25)
InChIKeyVQTFTPFLPZKMCW-UHFFFAOYSA-N
MW362.90 g/mol
LogP4.33
Rot. Bonds9

About 4-(2-chlorophenyl)-1-(3-hydroxypropyl)-2-methyl-5-pentylpyrrole-3-carboxamide

4-(2-chlorophenyl)-1-(3-hydroxypropyl)-2-methyl-5-pentylpyrrole-3-carboxamide (PubChem CID 3857314) has the molecular formula C20H27ClN2O2 and a molecular weight of 362.90 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-1-(3-hydroxypropyl)-2-methyl-5-pentylpyrrole-3-carboxamide.

Molecular Properties

Compound Name4-(2-chlorophenyl)-1-(3-hydroxypropyl)-2-methyl-5-pentylpyrrole-3-carboxamide
PubChem CID3857314
Molecular FormulaC20H27ClN2O2
Molecular Weight362.90 g/mol
Exact Mass362.18
IUPAC Name4-(2-chlorophenyl)-1-(3-hydroxypropyl)-2-methyl-5-pentylpyrrole-3-carboxamide
SMILESCCCCCc1c(-c2ccccc2Cl)c(C(N)=O)c(C)n1CCCO
InChIInChI=1S/C20H27ClN2O2/c1-3-4-5-11-17-19(15-9-6-7-10-16(15)21)18(20(22)25)14(2)23(17)12-8-13-24/h6-7,9-10,24H,3-5,8,11-13H2,1-2H3,(H2,22,25)
InChIKeyVQTFTPFLPZKMCW-UHFFFAOYSA-N
XLogP4.33
TPSA68.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.90
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3-hydroxypropyl)-2-methyl-4-(2-methylphenyl)-5-pentylpyrrole-3-carboxamide
CID 4678428
5-butyl-4-(2-chlorophenyl)-1-(3-ethoxypropyl)-2-methylpyrrole-3-carboxamide
CID 3790315
1-(3-hydroxypropyl)-2-methyl-4-(4-methylphenyl)-5-pentylpyrrole-3-carboxamide
CID 3794616
4-(2-chlorophenyl)-5-ethyl-2-methyl-1-(2-phenylethyl)pyrrole-3-carboxamide
CID 3373701
4-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1-(3-hydroxypropyl)-2-methyl-5-pentylpyrrole-3-carboxamide
CID 3847441
4-(2-chlorophenyl)-5-ethyl-1-[2-(4-hydroxyphenyl)ethyl]-2-methylpyrrole-3-carboxamide
CID 3864438
5-butyl-2-methyl-4-phenyl-1-undecylpyrrole-3-carboxamide
CID 3864834
2-methyl-5-pentyl-4-phenyl-1-(2-phenylethyl)pyrrole-3-carboxamide
CID 3815467
methyl 3-[4-carbamoyl-3-(2-chlorophenyl)-5-methyl-1-(3-morpholin-4-ylpropyl)pyrrol-2-yl]propanoate
CID 3718926
5-butyl-1-(3-ethoxypropyl)-4-(2-methoxyphenyl)-2-methylpyrrole-3-carboxamide
CID 3870995
4-(3-chloro-4-methylphenyl)-2-methyl-5-pentyl-1-(2-phosphorosoethyl)pyrrole-3-carboxamide
CID 59526418
1-butyl-2-methyl-4-(4-phenylphenyl)-5-propylpyrrole-3-carboxamide
CID 3744481

Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)-1-(3-hydroxypropyl)-2-methyl-5-pentylpyrrole-3-carboxamide?
The IUPAC name of 4-(2-chlorophenyl)-1-(3-hydroxypropyl)-2-methyl-5-pentylpyrrole-3-carboxamide (CID 3857314) is 4-(2-chlorophenyl)-1-(3-hydroxypropyl)-2-methyl-5-pentylpyrrole-3-carboxamide.
What is the SMILES notation for 4-(2-chlorophenyl)-1-(3-hydroxypropyl)-2-methyl-5-pentylpyrrole-3-carboxamide?
The canonical SMILES for 4-(2-chlorophenyl)-1-(3-hydroxypropyl)-2-methyl-5-pentylpyrrole-3-carboxamide is CCCCCc1c(-c2ccccc2Cl)c(C(N)=O)c(C)n1CCCO.
What is the InChIKey of 4-(2-chlorophenyl)-1-(3-hydroxypropyl)-2-methyl-5-pentylpyrrole-3-carboxamide?
The InChIKey is VQTFTPFLPZKMCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27ClN2O2/c1-3-4-5-11-17-19(15-9-6-7-10-16(15)21)18(20(22)25)14(2)23(17)12-8-13-24/h6-7,9-10,24H,3-5,8,11-13H2,1-2H3,(H2,22,25).
What are the key properties of 4-(2-chlorophenyl)-1-(3-hydroxypropyl)-2-methyl-5-pentylpyrrole-3-carboxamide?
4-(2-chlorophenyl)-1-(3-hydroxypropyl)-2-methyl-5-pentylpyrrole-3-carboxamide has a molecular weight of 362.90 g/mol, XLogP of 4.33, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)-1-(3-hydroxypropyl)-2-methyl-5-pentylpyrrole-3-carboxamide is sourced from PubChem (CID 3857314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).