1-(2-chlorophenyl)-5-(4-methoxyphenyl)-N-(3-methoxypropyl)-2-methylpyrrole-3-carboxamide

C23H25ClN2O3 — CID 7306923

IUPAC1-(2-chlorophenyl)-5-(4-methoxyphenyl)-N-(3-methoxypropyl)-2-methylpyrrole-3-carboxamide
SMILESCOCCCNC(=O)c1cc(-c2ccc(OC)cc2)n(-c2ccccc2Cl)c1C
InChIInChI=1S/C23H25ClN2O3/c1-16-19(23(27)25-13-6-14-28-2)15-22(17-9-11-18(29-3)12-10-17)26(16)21-8-5-4-7-20(21)24/h4-5,7-12,15H,6,13-14H2,1-3H3,(H,25,27)
InChIKeyCYXTWUDIZNURGA-UHFFFAOYSA-N
MW412.92 g/mol
LogP4.88
Rot. Bonds8

About 1-(2-chlorophenyl)-5-(4-methoxyphenyl)-N-(3-methoxypropyl)-2-methylpyrrole-3-carboxamide

1-(2-chlorophenyl)-5-(4-methoxyphenyl)-N-(3-methoxypropyl)-2-methylpyrrole-3-carboxamide (PubChem CID 7306923) has the molecular formula C23H25ClN2O3 and a molecular weight of 412.92 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-5-(4-methoxyphenyl)-N-(3-methoxypropyl)-2-methylpyrrole-3-carboxamide.

Molecular Properties

Compound Name1-(2-chlorophenyl)-5-(4-methoxyphenyl)-N-(3-methoxypropyl)-2-methylpyrrole-3-carboxamide
PubChem CID7306923
Molecular FormulaC23H25ClN2O3
Molecular Weight412.92 g/mol
Exact Mass412.16
IUPAC Name1-(2-chlorophenyl)-5-(4-methoxyphenyl)-N-(3-methoxypropyl)-2-methylpyrrole-3-carboxamide
SMILESCOCCCNC(=O)c1cc(-c2ccc(OC)cc2)n(-c2ccccc2Cl)c1C
InChIInChI=1S/C23H25ClN2O3/c1-16-19(23(27)25-13-6-14-28-2)15-22(17-9-11-18(29-3)12-10-17)26(16)21-8-5-4-7-20(21)24/h4-5,7-12,15H,6,13-14H2,1-3H3,(H,25,27)
InChIKeyCYXTWUDIZNURGA-UHFFFAOYSA-N
XLogP4.88
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.92
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-chlorophenyl)-5-(4-methoxyphenyl)-2-methyl-N-[(2S)-3-methylbutan-2-yl]pyrrole-3-carboxamide
CID 7230230
N-butyl-1-(2-chlorophenyl)-2-methyl-5-phenylpyrrole-3-carboxamide
CID 7213171
1-(2-chlorophenyl)-N,N-diethyl-5-(4-methoxyphenyl)-2-methylpyrrole-3-carboxamide
CID 7212658
1-(3-methoxyphenyl)-N-(3-methoxypropyl)-2-methyl-5-phenylpyrrole-3-carboxamide
CID 42785432
[1-(2-chlorophenyl)-5-(4-methoxyphenyl)-2-methylpyrrol-3-yl]-pyrrolidin-1-ylmethanone
CID 7231060
1-(2-chlorophenyl)-2-methyl-N-(3-methylbutyl)-5-phenylpyrrole-3-carboxamide
CID 7288841
5-(4-chlorophenyl)-1-(3-fluorophenyl)-N-(3-methoxypropyl)-2-methylpyrrole-3-carboxamide
CID 7218711
4-[1-(2-chlorophenyl)-5-(4-methoxyphenyl)-2-methylpyrrole-3-carbonyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 3918874
1-(2-fluorophenyl)-N-(furan-2-ylmethyl)-5-(4-methoxyphenyl)-2-methylpyrrole-3-carboxamide
CID 7306819
5-(4-chlorophenyl)-1-(2-methoxyphenyl)-2-methyl-N-(2-pyrrolidin-1-ylethyl)pyrrole-3-carboxamide
CID 46126596
1-(2-fluorophenyl)-5-(4-methoxyphenyl)-2-methyl-N-(4-methylphenyl)pyrrole-3-carboxamide
CID 7230977
N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-1-ethyl-5-(4-methoxyphenyl)-2-methylpyrrole-3-carboxamide;hydrochloride
CID 45279569

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-5-(4-methoxyphenyl)-N-(3-methoxypropyl)-2-methylpyrrole-3-carboxamide?
The IUPAC name of 1-(2-chlorophenyl)-5-(4-methoxyphenyl)-N-(3-methoxypropyl)-2-methylpyrrole-3-carboxamide (CID 7306923) is 1-(2-chlorophenyl)-5-(4-methoxyphenyl)-N-(3-methoxypropyl)-2-methylpyrrole-3-carboxamide.
What is the SMILES notation for 1-(2-chlorophenyl)-5-(4-methoxyphenyl)-N-(3-methoxypropyl)-2-methylpyrrole-3-carboxamide?
The canonical SMILES for 1-(2-chlorophenyl)-5-(4-methoxyphenyl)-N-(3-methoxypropyl)-2-methylpyrrole-3-carboxamide is COCCCNC(=O)c1cc(-c2ccc(OC)cc2)n(-c2ccccc2Cl)c1C.
What is the InChIKey of 1-(2-chlorophenyl)-5-(4-methoxyphenyl)-N-(3-methoxypropyl)-2-methylpyrrole-3-carboxamide?
The InChIKey is CYXTWUDIZNURGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN2O3/c1-16-19(23(27)25-13-6-14-28-2)15-22(17-9-11-18(29-3)12-10-17)26(16)21-8-5-4-7-20(21)24/h4-5,7-12,15H,6,13-14H2,1-3H3,(H,25,27).
What are the key properties of 1-(2-chlorophenyl)-5-(4-methoxyphenyl)-N-(3-methoxypropyl)-2-methylpyrrole-3-carboxamide?
1-(2-chlorophenyl)-5-(4-methoxyphenyl)-N-(3-methoxypropyl)-2-methylpyrrole-3-carboxamide has a molecular weight of 412.92 g/mol, XLogP of 4.88, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-5-(4-methoxyphenyl)-N-(3-methoxypropyl)-2-methylpyrrole-3-carboxamide is sourced from PubChem (CID 7306923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).