2-chloro-N-[[2-(4-fluorophenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]methyl]acetamide

C17H15ClFN3O — CID 146109431

IUPAC2-chloro-N-[[2-(4-fluorophenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]methyl]acetamide
SMILESCc1ccc2nc(-c3ccc(F)cc3)c(CNC(=O)CCl)n2c1
InChIInChI=1S/C17H15ClFN3O/c1-11-2-7-15-21-17(12-3-5-13(19)6-4-12)14(22(15)10-11)9-20-16(23)8-18/h2-7,10H,8-9H2,1H3,(H,20,23)
InChIKeyNZNYJGUCUBTCJL-UHFFFAOYSA-N
MW331.78 g/mol
LogP3.30
Rot. Bonds4

About 2-chloro-N-[[2-(4-fluorophenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]methyl]acetamide

2-chloro-N-[[2-(4-fluorophenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]methyl]acetamide (PubChem CID 146109431) has the molecular formula C17H15ClFN3O and a molecular weight of 331.78 g/mol. Its IUPAC name is 2-chloro-N-[[2-(4-fluorophenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]methyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[[2-(4-fluorophenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]methyl]acetamide
PubChem CID146109431
Molecular FormulaC17H15ClFN3O
Molecular Weight331.78 g/mol
Exact Mass331.09
IUPAC Name2-chloro-N-[[2-(4-fluorophenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]methyl]acetamide
SMILESCc1ccc2nc(-c3ccc(F)cc3)c(CNC(=O)CCl)n2c1
InChIInChI=1S/C17H15ClFN3O/c1-11-2-7-15-21-17(12-3-5-13(19)6-4-12)14(22(15)10-11)9-20-16(23)8-18/h2-7,10H,8-9H2,1H3,(H,20,23)
InChIKeyNZNYJGUCUBTCJL-UHFFFAOYSA-N
XLogP3.30
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.78
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[2-(4-fluorophenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]methyl]acetamide?
The IUPAC name of 2-chloro-N-[[2-(4-fluorophenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]methyl]acetamide (CID 146109431) is 2-chloro-N-[[2-(4-fluorophenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]methyl]acetamide.
What is the SMILES notation for 2-chloro-N-[[2-(4-fluorophenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]methyl]acetamide?
The canonical SMILES for 2-chloro-N-[[2-(4-fluorophenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]methyl]acetamide is Cc1ccc2nc(-c3ccc(F)cc3)c(CNC(=O)CCl)n2c1.
What is the InChIKey of 2-chloro-N-[[2-(4-fluorophenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]methyl]acetamide?
The InChIKey is NZNYJGUCUBTCJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClFN3O/c1-11-2-7-15-21-17(12-3-5-13(19)6-4-12)14(22(15)10-11)9-20-16(23)8-18/h2-7,10H,8-9H2,1H3,(H,20,23).
What are the key properties of 2-chloro-N-[[2-(4-fluorophenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]methyl]acetamide?
2-chloro-N-[[2-(4-fluorophenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]methyl]acetamide has a molecular weight of 331.78 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[[2-(4-fluorophenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]methyl]acetamide is sourced from PubChem (CID 146109431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).