2-(3-chloro-4-fluorophenyl)-N-[1-[2-cyclobutyloxy-5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]ethyl]acetamide

C26H27ClFN3O2 — CID 134369729

IUPAC2-(3-chloro-4-fluorophenyl)-N-[1-[2-cyclobutyloxy-5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]ethyl]acetamide
SMILESCC(NC(=O)Cc1ccc(F)c(Cl)c1)c1cc(-c2cn3c(n2)CCC3)ccc1OC1CCC1
InChIInChI=1S/C26H27ClFN3O2/c1-16(29-26(32)13-17-7-9-22(28)21(27)12-17)20-14-18(8-10-24(20)33-19-4-2-5-19)23-15-31-11-3-6-25(31)30-23/h7-10,12,14-16,19H,2-6,11,13H2,1H3,(H,29,32)
InChIKeyXJANMJQAHDPEFC-UHFFFAOYSA-N
MW467.97 g/mol
LogP5.64
Rot. Bonds7

About 2-(3-chloro-4-fluorophenyl)-N-[1-[2-cyclobutyloxy-5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]ethyl]acetamide

2-(3-chloro-4-fluorophenyl)-N-[1-[2-cyclobutyloxy-5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]ethyl]acetamide (PubChem CID 134369729) has the molecular formula C26H27ClFN3O2 and a molecular weight of 467.97 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenyl)-N-[1-[2-cyclobutyloxy-5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]ethyl]acetamide.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenyl)-N-[1-[2-cyclobutyloxy-5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]ethyl]acetamide
PubChem CID134369729
Molecular FormulaC26H27ClFN3O2
Molecular Weight467.97 g/mol
Exact Mass467.18
IUPAC Name2-(3-chloro-4-fluorophenyl)-N-[1-[2-cyclobutyloxy-5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]ethyl]acetamide
SMILESCC(NC(=O)Cc1ccc(F)c(Cl)c1)c1cc(-c2cn3c(n2)CCC3)ccc1OC1CCC1
InChIInChI=1S/C26H27ClFN3O2/c1-16(29-26(32)13-17-7-9-22(28)21(27)12-17)20-14-18(8-10-24(20)33-19-4-2-5-19)23-15-31-11-3-6-25(31)30-23/h7-10,12,14-16,19H,2-6,11,13H2,1H3,(H,29,32)
InChIKeyXJANMJQAHDPEFC-UHFFFAOYSA-N
XLogP5.64
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.97
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(3-chloro-4-fluorophenyl)-N-[1-[2-cyclobutyloxy-5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]ethyl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenyl)-N-[1-[2-cyclobutyloxy-5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]ethyl]acetamide?
The IUPAC name of 2-(3-chloro-4-fluorophenyl)-N-[1-[2-cyclobutyloxy-5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]ethyl]acetamide (CID 134369729) is 2-(3-chloro-4-fluorophenyl)-N-[1-[2-cyclobutyloxy-5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]ethyl]acetamide.
What is the SMILES notation for 2-(3-chloro-4-fluorophenyl)-N-[1-[2-cyclobutyloxy-5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]ethyl]acetamide?
The canonical SMILES for 2-(3-chloro-4-fluorophenyl)-N-[1-[2-cyclobutyloxy-5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]ethyl]acetamide is CC(NC(=O)Cc1ccc(F)c(Cl)c1)c1cc(-c2cn3c(n2)CCC3)ccc1OC1CCC1.
What is the InChIKey of 2-(3-chloro-4-fluorophenyl)-N-[1-[2-cyclobutyloxy-5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]ethyl]acetamide?
The InChIKey is XJANMJQAHDPEFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27ClFN3O2/c1-16(29-26(32)13-17-7-9-22(28)21(27)12-17)20-14-18(8-10-24(20)33-19-4-2-5-19)23-15-31-11-3-6-25(31)30-23/h7-10,12,14-16,19H,2-6,11,13H2,1H3,(H,29,32).
What are the key properties of 2-(3-chloro-4-fluorophenyl)-N-[1-[2-cyclobutyloxy-5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]ethyl]acetamide?
2-(3-chloro-4-fluorophenyl)-N-[1-[2-cyclobutyloxy-5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]ethyl]acetamide has a molecular weight of 467.97 g/mol, XLogP of 5.64, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenyl)-N-[1-[2-cyclobutyloxy-5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]ethyl]acetamide is sourced from PubChem (CID 134369729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).