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

C22H22ClFN2O2 — CID 7218711

IUPAC5-(4-chlorophenyl)-1-(3-fluorophenyl)-N-(3-methoxypropyl)-2-methylpyrrole-3-carboxamide
SMILESCOCCCNC(=O)c1cc(-c2ccc(Cl)cc2)n(-c2cccc(F)c2)c1C
InChIInChI=1S/C22H22ClFN2O2/c1-15-20(22(27)25-11-4-12-28-2)14-21(16-7-9-17(23)10-8-16)26(15)19-6-3-5-18(24)13-19/h3,5-10,13-14H,4,11-12H2,1-2H3,(H,25,27)
InChIKeyBPXMFMNRDRHUSL-UHFFFAOYSA-N
MW400.88 g/mol
LogP5.01
Rot. Bonds7

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

5-(4-chlorophenyl)-1-(3-fluorophenyl)-N-(3-methoxypropyl)-2-methylpyrrole-3-carboxamide (PubChem CID 7218711) has the molecular formula C22H22ClFN2O2 and a molecular weight of 400.88 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-1-(3-fluorophenyl)-N-(3-methoxypropyl)-2-methylpyrrole-3-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-1-(3-fluorophenyl)-N-(3-methoxypropyl)-2-methylpyrrole-3-carboxamide
PubChem CID7218711
Molecular FormulaC22H22ClFN2O2
Molecular Weight400.88 g/mol
Exact Mass400.14
IUPAC Name5-(4-chlorophenyl)-1-(3-fluorophenyl)-N-(3-methoxypropyl)-2-methylpyrrole-3-carboxamide
SMILESCOCCCNC(=O)c1cc(-c2ccc(Cl)cc2)n(-c2cccc(F)c2)c1C
InChIInChI=1S/C22H22ClFN2O2/c1-15-20(22(27)25-11-4-12-28-2)14-21(16-7-9-17(23)10-8-16)26(15)19-6-3-5-18(24)13-19/h3,5-10,13-14H,4,11-12H2,1-2H3,(H,25,27)
InChIKeyBPXMFMNRDRHUSL-UHFFFAOYSA-N
XLogP5.01
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.88
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(3-methoxyphenyl)-N-(3-methoxypropyl)-2-methyl-5-phenylpyrrole-3-carboxamide
CID 42785432
5-(4-chlorophenyl)-2-methyl-1-phenyl-N-propylpyrrole-3-carboxamide
CID 7307046
2-[[5-(4-chlorophenyl)-1-(4-fluorophenyl)-2-methylpyrrole-3-carbonyl]amino]ethyl-dimethylazanium
CID 7306703
5-(4-chlorophenyl)-N-[2-(dimethylamino)ethyl]-2-methyl-1-(3-methylphenyl)pyrrole-3-carboxamide
CID 42785639
1-(2-chlorophenyl)-5-(4-methoxyphenyl)-N-(3-methoxypropyl)-2-methylpyrrole-3-carboxamide
CID 7306923
2-chloro-1-[4-[5-(4-chlorophenyl)-1-(3-fluorophenyl)-2-methylpyrrole-3-carbonyl]piperazin-1-yl]ethanone
CID 4620719
5-(4-chlorophenyl)-1-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-2-methylpyrrole-3-carboxamide
CID 42785571
2,3-difluoro-N-(3-methoxypropyl)benzamide
CID 62650844
5-(4-chlorophenyl)-1-(4-fluorophenyl)-2-methyl-N-(2-methylpropyl)pyrrole-3-carboxamide
CID 7307029
[5-(4-chlorophenyl)-1-(3-fluorophenyl)-2-methylpyrrol-3-yl]-(4-ethylsulfonylpiperazin-1-yl)methanone
CID 3638952
N-(3-methoxypropyl)-2,5-dimethyl-1-(4-methylphenyl)pyrrole-3-carboxamide
CID 7709094
5-(4-chlorophenyl)-2-methyl-1-phenyl-N-propan-2-ylpyrrole-3-carboxamide
CID 7213689

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-1-(3-fluorophenyl)-N-(3-methoxypropyl)-2-methylpyrrole-3-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-1-(3-fluorophenyl)-N-(3-methoxypropyl)-2-methylpyrrole-3-carboxamide (CID 7218711) is 5-(4-chlorophenyl)-1-(3-fluorophenyl)-N-(3-methoxypropyl)-2-methylpyrrole-3-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-1-(3-fluorophenyl)-N-(3-methoxypropyl)-2-methylpyrrole-3-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-1-(3-fluorophenyl)-N-(3-methoxypropyl)-2-methylpyrrole-3-carboxamide is COCCCNC(=O)c1cc(-c2ccc(Cl)cc2)n(-c2cccc(F)c2)c1C.
What is the InChIKey of 5-(4-chlorophenyl)-1-(3-fluorophenyl)-N-(3-methoxypropyl)-2-methylpyrrole-3-carboxamide?
The InChIKey is BPXMFMNRDRHUSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClFN2O2/c1-15-20(22(27)25-11-4-12-28-2)14-21(16-7-9-17(23)10-8-16)26(15)19-6-3-5-18(24)13-19/h3,5-10,13-14H,4,11-12H2,1-2H3,(H,25,27).
What are the key properties of 5-(4-chlorophenyl)-1-(3-fluorophenyl)-N-(3-methoxypropyl)-2-methylpyrrole-3-carboxamide?
5-(4-chlorophenyl)-1-(3-fluorophenyl)-N-(3-methoxypropyl)-2-methylpyrrole-3-carboxamide has a molecular weight of 400.88 g/mol, XLogP of 5.01, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-1-(3-fluorophenyl)-N-(3-methoxypropyl)-2-methylpyrrole-3-carboxamide is sourced from PubChem (CID 7218711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).