5-(4-chlorophenyl)-1-(2-methoxyphenyl)-2-methyl-N-(2-pyrrolidin-1-ylethyl)pyrrole-3-carboxamide

C25H28ClN3O2 — CID 46126596

IUPAC5-(4-chlorophenyl)-1-(2-methoxyphenyl)-2-methyl-N-(2-pyrrolidin-1-ylethyl)pyrrole-3-carboxamide
SMILESCOc1ccccc1-n1c(-c2ccc(Cl)cc2)cc(C(=O)NCCN2CCCC2)c1C
InChIInChI=1S/C25H28ClN3O2/c1-18-21(25(30)27-13-16-28-14-5-6-15-28)17-23(19-9-11-20(26)12-10-19)29(18)22-7-3-4-8-24(22)31-2/h3-4,7-12,17H,5-6,13-16H2,1-2H3,(H,27,30)
InChIKeyCJQHORPLPNGRTD-UHFFFAOYSA-N
MW437.97 g/mol
LogP4.94
Rot. Bonds7

About 5-(4-chlorophenyl)-1-(2-methoxyphenyl)-2-methyl-N-(2-pyrrolidin-1-ylethyl)pyrrole-3-carboxamide

5-(4-chlorophenyl)-1-(2-methoxyphenyl)-2-methyl-N-(2-pyrrolidin-1-ylethyl)pyrrole-3-carboxamide (PubChem CID 46126596) has the molecular formula C25H28ClN3O2 and a molecular weight of 437.97 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-1-(2-methoxyphenyl)-2-methyl-N-(2-pyrrolidin-1-ylethyl)pyrrole-3-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-1-(2-methoxyphenyl)-2-methyl-N-(2-pyrrolidin-1-ylethyl)pyrrole-3-carboxamide
PubChem CID46126596
Molecular FormulaC25H28ClN3O2
Molecular Weight437.97 g/mol
Exact Mass437.19
IUPAC Name5-(4-chlorophenyl)-1-(2-methoxyphenyl)-2-methyl-N-(2-pyrrolidin-1-ylethyl)pyrrole-3-carboxamide
SMILESCOc1ccccc1-n1c(-c2ccc(Cl)cc2)cc(C(=O)NCCN2CCCC2)c1C
InChIInChI=1S/C25H28ClN3O2/c1-18-21(25(30)27-13-16-28-14-5-6-15-28)17-23(19-9-11-20(26)12-10-19)29(18)22-7-3-4-8-24(22)31-2/h3-4,7-12,17H,5-6,13-16H2,1-2H3,(H,27,30)
InChIKeyCJQHORPLPNGRTD-UHFFFAOYSA-N
XLogP4.94
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.97
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_B(29)', 'substructure': 'N/A'}

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Related Compounds

N-[(2R)-butan-2-yl]-5-(4-chlorophenyl)-1-(2-methoxyphenyl)-2-methylpyrrole-3-carboxamide
CID 7295044
[5-(4-chlorophenyl)-1-(2-methoxyphenyl)-2-methylpyrrol-3-yl]-piperidin-1-ylmethanone
CID 7213262
5-(4-chlorophenyl)-N-(furan-2-ylmethyl)-1-(2-methoxyphenyl)-2-methylpyrrole-3-carboxamide
CID 7230397
5-(4-chlorophenyl)-2-methyl-N-(2-morpholin-4-ylethyl)-1-phenylpyrrole-3-carboxamide
CID 7306840
1-(2-methoxyphenyl)-2-methyl-N-(3-methylbutyl)-5-phenylpyrrole-3-carboxamide
CID 7230876
N-(3,3-diphenylpropyl)-1-(2-methoxyphenyl)-2-methyl-5-phenylpyrrole-3-carboxamide
CID 4579764
5-(4-fluorophenyl)-2-methyl-1-(3-methylphenyl)-N-(2-pyrrolidin-1-ylethyl)pyrrole-3-carboxamide
CID 4209005
5-(4-chlorophenyl)-N-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]-1,2-dimethylpyrrole-3-carboxamide
CID 45279763
1-(2-chlorophenyl)-5-(4-methoxyphenyl)-N-(3-methoxypropyl)-2-methylpyrrole-3-carboxamide
CID 7306923
N-[(4-fluorophenyl)methyl]-1-(2-methoxyphenyl)-2-methyl-5-phenylpyrrole-3-carboxamide
CID 42665713
5-(4-methoxyphenyl)-2-methyl-N-(2-morpholin-4-ylethyl)-1-phenylpyrrole-3-carboxamide
CID 42785508
5-(4-chlorophenyl)-2-methyl-1-phenyl-N-propylpyrrole-3-carboxamide
CID 7307046

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-1-(2-methoxyphenyl)-2-methyl-N-(2-pyrrolidin-1-ylethyl)pyrrole-3-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-1-(2-methoxyphenyl)-2-methyl-N-(2-pyrrolidin-1-ylethyl)pyrrole-3-carboxamide (CID 46126596) is 5-(4-chlorophenyl)-1-(2-methoxyphenyl)-2-methyl-N-(2-pyrrolidin-1-ylethyl)pyrrole-3-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-1-(2-methoxyphenyl)-2-methyl-N-(2-pyrrolidin-1-ylethyl)pyrrole-3-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-1-(2-methoxyphenyl)-2-methyl-N-(2-pyrrolidin-1-ylethyl)pyrrole-3-carboxamide is COc1ccccc1-n1c(-c2ccc(Cl)cc2)cc(C(=O)NCCN2CCCC2)c1C.
What is the InChIKey of 5-(4-chlorophenyl)-1-(2-methoxyphenyl)-2-methyl-N-(2-pyrrolidin-1-ylethyl)pyrrole-3-carboxamide?
The InChIKey is CJQHORPLPNGRTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28ClN3O2/c1-18-21(25(30)27-13-16-28-14-5-6-15-28)17-23(19-9-11-20(26)12-10-19)29(18)22-7-3-4-8-24(22)31-2/h3-4,7-12,17H,5-6,13-16H2,1-2H3,(H,27,30).
What are the key properties of 5-(4-chlorophenyl)-1-(2-methoxyphenyl)-2-methyl-N-(2-pyrrolidin-1-ylethyl)pyrrole-3-carboxamide?
5-(4-chlorophenyl)-1-(2-methoxyphenyl)-2-methyl-N-(2-pyrrolidin-1-ylethyl)pyrrole-3-carboxamide has a molecular weight of 437.97 g/mol, XLogP of 4.94, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-1-(2-methoxyphenyl)-2-methyl-N-(2-pyrrolidin-1-ylethyl)pyrrole-3-carboxamide is sourced from PubChem (CID 46126596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).