2-(3-chloro-4-fluorophenoxy)-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]acetamide

C21H19ClFN3O2 — CID 112832862

IUPAC2-(3-chloro-4-fluorophenoxy)-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]acetamide
SMILESO=C(COc1ccc(F)c(Cl)c1)Nc1ccc(-c2ncc3n2CCCC3)cc1
InChIInChI=1S/C21H19ClFN3O2/c22-18-11-17(8-9-19(18)23)28-13-20(27)25-15-6-4-14(5-7-15)21-24-12-16-3-1-2-10-26(16)21/h4-9,11-12H,1-3,10,13H2,(H,25,27)
InChIKeyAMXNIYYYTHKKAK-UHFFFAOYSA-N
MW399.85 g/mol
LogP4.70
Rot. Bonds5

About 2-(3-chloro-4-fluorophenoxy)-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]acetamide

2-(3-chloro-4-fluorophenoxy)-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]acetamide (PubChem CID 112832862) has the molecular formula C21H19ClFN3O2 and a molecular weight of 399.85 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenoxy)-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenoxy)-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]acetamide
PubChem CID112832862
Molecular FormulaC21H19ClFN3O2
Molecular Weight399.85 g/mol
Exact Mass399.11
IUPAC Name2-(3-chloro-4-fluorophenoxy)-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]acetamide
SMILESO=C(COc1ccc(F)c(Cl)c1)Nc1ccc(-c2ncc3n2CCCC3)cc1
InChIInChI=1S/C21H19ClFN3O2/c22-18-11-17(8-9-19(18)23)28-13-20(27)25-15-6-4-14(5-7-15)21-24-12-16-3-1-2-10-26(16)21/h4-9,11-12H,1-3,10,13H2,(H,25,27)
InChIKeyAMXNIYYYTHKKAK-UHFFFAOYSA-N
XLogP4.70
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.85
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(3-chloro-4-fluorophenoxy)-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]acetamide with MolForge

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Related Compounds

2-(4-propoxyphenoxy)-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]acetamide
CID 112832914
2-(2-ethoxyphenoxy)-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]acetamide
CID 166190257
N-[4-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]phenyl]cyclopropanecarboxamide
CID 134002141
3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]propanamide
CID 112833342
3-(4-fluorophenyl)sulfanyl-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]propanamide
CID 112832934
4-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]benzamide
CID 2559686
3-propoxy-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]benzamide
CID 112833354
2-(3-chloro-4-fluorophenoxy)-N-(4-nitrophenyl)acetamide
CID 8579924
N-(4-bromophenyl)-2-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenoxy]acetamide
CID 91889127
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4-chlorophenoxy)acetamide
CID 1010577
4-(2-ethoxyphenoxy)-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]butanamide
CID 112832993
6-chloro-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 112833087

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenoxy)-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]acetamide?
The IUPAC name of 2-(3-chloro-4-fluorophenoxy)-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]acetamide (CID 112832862) is 2-(3-chloro-4-fluorophenoxy)-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]acetamide.
What is the SMILES notation for 2-(3-chloro-4-fluorophenoxy)-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]acetamide?
The canonical SMILES for 2-(3-chloro-4-fluorophenoxy)-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]acetamide is O=C(COc1ccc(F)c(Cl)c1)Nc1ccc(-c2ncc3n2CCCC3)cc1.
What is the InChIKey of 2-(3-chloro-4-fluorophenoxy)-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]acetamide?
The InChIKey is AMXNIYYYTHKKAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClFN3O2/c22-18-11-17(8-9-19(18)23)28-13-20(27)25-15-6-4-14(5-7-15)21-24-12-16-3-1-2-10-26(16)21/h4-9,11-12H,1-3,10,13H2,(H,25,27).
What are the key properties of 2-(3-chloro-4-fluorophenoxy)-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]acetamide?
2-(3-chloro-4-fluorophenoxy)-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]acetamide has a molecular weight of 399.85 g/mol, XLogP of 4.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenoxy)-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]acetamide is sourced from PubChem (CID 112832862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).