N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1-methylpyrrole-2-carboxamide

C18H22FN3O2 — CID 24819924

IUPACN-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1-methylpyrrole-2-carboxamide
SMILESCn1cccc1C(=O)NCC(c1ccc(F)cc1)N1CCOCC1
InChIInChI=1S/C18H22FN3O2/c1-21-8-2-3-16(21)18(23)20-13-17(22-9-11-24-12-10-22)14-4-6-15(19)7-5-14/h2-8,17H,9-13H2,1H3,(H,20,23)
InChIKeyMBKTVCARNRQDBQ-UHFFFAOYSA-N
MW331.39 g/mol
LogP1.97
Rot. Bonds5

About N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1-methylpyrrole-2-carboxamide

N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1-methylpyrrole-2-carboxamide (PubChem CID 24819924) has the molecular formula C18H22FN3O2 and a molecular weight of 331.39 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1-methylpyrrole-2-carboxamide
PubChem CID24819924
Molecular FormulaC18H22FN3O2
Molecular Weight331.39 g/mol
Exact Mass331.17
IUPAC NameN-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1-methylpyrrole-2-carboxamide
SMILESCn1cccc1C(=O)NCC(c1ccc(F)cc1)N1CCOCC1
InChIInChI=1S/C18H22FN3O2/c1-21-8-2-3-16(21)18(23)20-13-17(22-9-11-24-12-10-22)14-4-6-15(19)7-5-14/h2-8,17H,9-13H2,1H3,(H,20,23)
InChIKeyMBKTVCARNRQDBQ-UHFFFAOYSA-N
XLogP1.97
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.39
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1-methylpyrrole-2-carboxamide?
The IUPAC name of N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1-methylpyrrole-2-carboxamide (CID 24819924) is N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1-methylpyrrole-2-carboxamide?
The canonical SMILES for N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1-methylpyrrole-2-carboxamide is Cn1cccc1C(=O)NCC(c1ccc(F)cc1)N1CCOCC1.
What is the InChIKey of N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1-methylpyrrole-2-carboxamide?
The InChIKey is MBKTVCARNRQDBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O2/c1-21-8-2-3-16(21)18(23)20-13-17(22-9-11-24-12-10-22)14-4-6-15(19)7-5-14/h2-8,17H,9-13H2,1H3,(H,20,23).
What are the key properties of N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1-methylpyrrole-2-carboxamide?
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1-methylpyrrole-2-carboxamide has a molecular weight of 331.39 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 24819924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).