1-(4-chlorophenyl)-2,5-dimethyl-N-(3,4,5-trimethoxyphenyl)pyrrole-3-carboxamide

C22H23ClN2O4 — CID 47065466

IUPAC1-(4-chlorophenyl)-2,5-dimethyl-N-(3,4,5-trimethoxyphenyl)pyrrole-3-carboxamide
SMILESCOc1cc(NC(=O)c2cc(C)n(-c3ccc(Cl)cc3)c2C)cc(OC)c1OC
InChIInChI=1S/C22H23ClN2O4/c1-13-10-18(14(2)25(13)17-8-6-15(23)7-9-17)22(26)24-16-11-19(27-3)21(29-5)20(12-16)28-4/h6-12H,1-5H3,(H,24,26)
InChIKeyHHJOHRDISHENOB-UHFFFAOYSA-N
MW414.89 g/mol
LogP5.03
Rot. Bonds6

About 1-(4-chlorophenyl)-2,5-dimethyl-N-(3,4,5-trimethoxyphenyl)pyrrole-3-carboxamide

1-(4-chlorophenyl)-2,5-dimethyl-N-(3,4,5-trimethoxyphenyl)pyrrole-3-carboxamide (PubChem CID 47065466) has the molecular formula C22H23ClN2O4 and a molecular weight of 414.89 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2,5-dimethyl-N-(3,4,5-trimethoxyphenyl)pyrrole-3-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2,5-dimethyl-N-(3,4,5-trimethoxyphenyl)pyrrole-3-carboxamide
PubChem CID47065466
Molecular FormulaC22H23ClN2O4
Molecular Weight414.89 g/mol
Exact Mass414.13
IUPAC Name1-(4-chlorophenyl)-2,5-dimethyl-N-(3,4,5-trimethoxyphenyl)pyrrole-3-carboxamide
SMILESCOc1cc(NC(=O)c2cc(C)n(-c3ccc(Cl)cc3)c2C)cc(OC)c1OC
InChIInChI=1S/C22H23ClN2O4/c1-13-10-18(14(2)25(13)17-8-6-15(23)7-9-17)22(26)24-16-11-19(27-3)21(29-5)20(12-16)28-4/h6-12H,1-5H3,(H,24,26)
InChIKeyHHJOHRDISHENOB-UHFFFAOYSA-N
XLogP5.03
TPSA61.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.89
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

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Related Compounds

N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-1-(4-chlorophenyl)-2,5-dimethylpyrrole-3-carboxamide
CID 60555017
4-(2,5-dimethylpyrrol-1-yl)-N-(3,4,5-trimethoxyphenyl)benzamide
CID 26717528
[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] 1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carboxylate
CID 41399295
N-(5-chloro-2,4-dimethoxyphenyl)-1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carboxamide
CID 35864833
N-(3-methoxyphenyl)-1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carboxamide
CID 34319459
N-(3,4-dimethoxyphenyl)-2,5-dimethyl-1-(3-methylphenyl)pyrrole-3-carboxamide
CID 26695119
N-(4-chlorophenyl)-3,4,5-trimethoxybenzamide
CID 692739
5-chloro-N-(3,4,5-trimethoxyphenyl)-1H-indole-3-carboxamide
CID 113205929
5-(4-chlorophenyl)-N-(3,4,5-trimethoxyphenyl)-1H-pyrazole-4-carboxamide
CID 17433645
2-methoxy-N-(3,4,5-trimethoxyphenyl)benzamide
CID 7741659
3,5-dichloro-N-(3,4,5-trimethoxyphenyl)benzamide
CID 26102136
1-(4-chlorophenyl)-2,5-dimethyl-N-[2-(methylamino)propyl]pyrrole-3-carboxamide
CID 120826815

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2,5-dimethyl-N-(3,4,5-trimethoxyphenyl)pyrrole-3-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-2,5-dimethyl-N-(3,4,5-trimethoxyphenyl)pyrrole-3-carboxamide (CID 47065466) is 1-(4-chlorophenyl)-2,5-dimethyl-N-(3,4,5-trimethoxyphenyl)pyrrole-3-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-2,5-dimethyl-N-(3,4,5-trimethoxyphenyl)pyrrole-3-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-2,5-dimethyl-N-(3,4,5-trimethoxyphenyl)pyrrole-3-carboxamide is COc1cc(NC(=O)c2cc(C)n(-c3ccc(Cl)cc3)c2C)cc(OC)c1OC.
What is the InChIKey of 1-(4-chlorophenyl)-2,5-dimethyl-N-(3,4,5-trimethoxyphenyl)pyrrole-3-carboxamide?
The InChIKey is HHJOHRDISHENOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN2O4/c1-13-10-18(14(2)25(13)17-8-6-15(23)7-9-17)22(26)24-16-11-19(27-3)21(29-5)20(12-16)28-4/h6-12H,1-5H3,(H,24,26).
What are the key properties of 1-(4-chlorophenyl)-2,5-dimethyl-N-(3,4,5-trimethoxyphenyl)pyrrole-3-carboxamide?
1-(4-chlorophenyl)-2,5-dimethyl-N-(3,4,5-trimethoxyphenyl)pyrrole-3-carboxamide has a molecular weight of 414.89 g/mol, XLogP of 5.03, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2,5-dimethyl-N-(3,4,5-trimethoxyphenyl)pyrrole-3-carboxamide is sourced from PubChem (CID 47065466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).