1-ethyl-N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-2,5-dimethylpyrrole-3-carboxamide

C20H26FN3O2 — CID 75404860

IUPAC1-ethyl-N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-2,5-dimethylpyrrole-3-carboxamide
SMILESCCn1c(C)cc(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)c1C
InChIInChI=1S/C20H26FN3O2/c1-4-24-14(2)11-17(15(24)3)20(25)22-13-16-5-6-19(18(21)12-16)23-7-9-26-10-8-23/h5-6,11-12H,4,7-10,13H2,1-3H3,(H,22,25)
InChIKeyMQLZLURQPDKNTR-UHFFFAOYSA-N
MW359.45 g/mol
LogP3.03
Rot. Bonds5

About 1-ethyl-N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-2,5-dimethylpyrrole-3-carboxamide

1-ethyl-N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-2,5-dimethylpyrrole-3-carboxamide (PubChem CID 75404860) has the molecular formula C20H26FN3O2 and a molecular weight of 359.45 g/mol. Its IUPAC name is 1-ethyl-N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-2,5-dimethylpyrrole-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-2,5-dimethylpyrrole-3-carboxamide
PubChem CID75404860
Molecular FormulaC20H26FN3O2
Molecular Weight359.45 g/mol
Exact Mass359.20
IUPAC Name1-ethyl-N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-2,5-dimethylpyrrole-3-carboxamide
SMILESCCn1c(C)cc(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)c1C
InChIInChI=1S/C20H26FN3O2/c1-4-24-14(2)11-17(15(24)3)20(25)22-13-16-5-6-19(18(21)12-16)23-7-9-26-10-8-23/h5-6,11-12H,4,7-10,13H2,1-3H3,(H,22,25)
InChIKeyMQLZLURQPDKNTR-UHFFFAOYSA-N
XLogP3.03
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-2,5-dimethylpyrrole-3-carboxamide?
The IUPAC name of 1-ethyl-N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-2,5-dimethylpyrrole-3-carboxamide (CID 75404860) is 1-ethyl-N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-2,5-dimethylpyrrole-3-carboxamide.
What is the SMILES notation for 1-ethyl-N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-2,5-dimethylpyrrole-3-carboxamide?
The canonical SMILES for 1-ethyl-N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-2,5-dimethylpyrrole-3-carboxamide is CCn1c(C)cc(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)c1C.
What is the InChIKey of 1-ethyl-N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-2,5-dimethylpyrrole-3-carboxamide?
The InChIKey is MQLZLURQPDKNTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FN3O2/c1-4-24-14(2)11-17(15(24)3)20(25)22-13-16-5-6-19(18(21)12-16)23-7-9-26-10-8-23/h5-6,11-12H,4,7-10,13H2,1-3H3,(H,22,25).
What are the key properties of 1-ethyl-N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-2,5-dimethylpyrrole-3-carboxamide?
1-ethyl-N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-2,5-dimethylpyrrole-3-carboxamide has a molecular weight of 359.45 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-2,5-dimethylpyrrole-3-carboxamide is sourced from PubChem (CID 75404860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).