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

C16H12BrClFN3O2 — CID 55976005

IUPACN-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-(3-chloro-4-fluorophenoxy)acetamide
SMILESO=C(COc1ccc(F)c(Cl)c1)NCc1cn2cc(Br)ccc2n1
InChIInChI=1S/C16H12BrClFN3O2/c17-10-1-4-15-21-11(8-22(15)7-10)6-20-16(23)9-24-12-2-3-14(19)13(18)5-12/h1-5,7-8H,6,9H2,(H,20,23)
InChIKeyOHYQAMJIKITNTH-UHFFFAOYSA-N
MW412.65 g/mol
LogP3.58
Rot. Bonds5

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

N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-(3-chloro-4-fluorophenoxy)acetamide (PubChem CID 55976005) has the molecular formula C16H12BrClFN3O2 and a molecular weight of 412.65 g/mol. Its IUPAC name is N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-(3-chloro-4-fluorophenoxy)acetamide.

Molecular Properties

Compound NameN-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-(3-chloro-4-fluorophenoxy)acetamide
PubChem CID55976005
Molecular FormulaC16H12BrClFN3O2
Molecular Weight412.65 g/mol
Exact Mass410.98
IUPAC NameN-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-(3-chloro-4-fluorophenoxy)acetamide
SMILESO=C(COc1ccc(F)c(Cl)c1)NCc1cn2cc(Br)ccc2n1
InChIInChI=1S/C16H12BrClFN3O2/c17-10-1-4-15-21-11(8-22(15)7-10)6-20-16(23)9-24-12-2-3-14(19)13(18)5-12/h1-5,7-8H,6,9H2,(H,20,23)
InChIKeyOHYQAMJIKITNTH-UHFFFAOYSA-N
XLogP3.58
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.65
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenoxy)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)acetamide
CID 8917153
N-[3-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methylamino]-3-oxopropyl]-4-chlorobenzamide
CID 55977015
2-(2-benzylphenoxy)-N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]acetamide
CID 55975996
N-(4-bromo-2-fluorophenyl)-2-(3-chloro-4-fluorophenoxy)acetamide
CID 4270758
2-(6-bromonaphthalen-2-yl)oxy-N-[(4-chlorophenyl)methyl]acetamide
CID 7786789
N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-[2-(dimethylamino)-2-oxoethoxy]benzamide
CID 55976908
N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-(3,4-difluorophenyl)cyclopropane-1-carboxamide
CID 86903374
N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3,4,5-triethoxybenzamide
CID 55976377
5-chloro-N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-2-fluorobenzamide
CID 86917632
2-(3-chloro-4-fluorophenoxy)-N-[3-(methylamino)propyl]acetamide
CID 119431591
3-amino-N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]butanamide;dihydrochloride
CID 119860105
2-(3,4-dichlorophenoxy)-N-[(2-fluorophenyl)methyl]acetamide
CID 9196943

Frequently Asked Questions

What is the IUPAC name of N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-(3-chloro-4-fluorophenoxy)acetamide?
The IUPAC name of N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-(3-chloro-4-fluorophenoxy)acetamide (CID 55976005) is N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-(3-chloro-4-fluorophenoxy)acetamide.
What is the SMILES notation for N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-(3-chloro-4-fluorophenoxy)acetamide?
The canonical SMILES for N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-(3-chloro-4-fluorophenoxy)acetamide is O=C(COc1ccc(F)c(Cl)c1)NCc1cn2cc(Br)ccc2n1.
What is the InChIKey of N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-(3-chloro-4-fluorophenoxy)acetamide?
The InChIKey is OHYQAMJIKITNTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrClFN3O2/c17-10-1-4-15-21-11(8-22(15)7-10)6-20-16(23)9-24-12-2-3-14(19)13(18)5-12/h1-5,7-8H,6,9H2,(H,20,23).
What are the key properties of N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-(3-chloro-4-fluorophenoxy)acetamide?
N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-(3-chloro-4-fluorophenoxy)acetamide has a molecular weight of 412.65 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-(3-chloro-4-fluorophenoxy)acetamide is sourced from PubChem (CID 55976005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).