N-(3-chloro-4-fluorophenyl)-2-[2-methoxy-4-[[[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]amino]methyl]phenoxy]acetamide

C24H23ClFN5O3 — CID 26697829

IUPACN-(3-chloro-4-fluorophenyl)-2-[2-methoxy-4-[[[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]amino]methyl]phenoxy]acetamide
SMILESCOc1cc(CN[C@H](C)c2nnc3ccccn23)ccc1OCC(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C24H23ClFN5O3/c1-15(24-30-29-22-5-3-4-10-31(22)24)27-13-16-6-9-20(21(11-16)33-2)34-14-23(32)28-17-7-8-19(26)18(25)12-17/h3-12,15,27H,13-14H2,1-2H3,(H,28,32)/t15-/m1/s1
InChIKeyZFHLCNHHOUJFMG-OAHLLOKOSA-N
MW483.93 g/mol
LogP4.40
Rot. Bonds9

About N-(3-chloro-4-fluorophenyl)-2-[2-methoxy-4-[[[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]amino]methyl]phenoxy]acetamide

N-(3-chloro-4-fluorophenyl)-2-[2-methoxy-4-[[[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]amino]methyl]phenoxy]acetamide (PubChem CID 26697829) has the molecular formula C24H23ClFN5O3 and a molecular weight of 483.93 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-2-[2-methoxy-4-[[[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]amino]methyl]phenoxy]acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-2-[2-methoxy-4-[[[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]amino]methyl]phenoxy]acetamide
PubChem CID26697829
Molecular FormulaC24H23ClFN5O3
Molecular Weight483.93 g/mol
Exact Mass483.15
IUPAC NameN-(3-chloro-4-fluorophenyl)-2-[2-methoxy-4-[[[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]amino]methyl]phenoxy]acetamide
SMILESCOc1cc(CN[C@H](C)c2nnc3ccccn23)ccc1OCC(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C24H23ClFN5O3/c1-15(24-30-29-22-5-3-4-10-31(22)24)27-13-16-6-9-20(21(11-16)33-2)34-14-23(32)28-17-7-8-19(26)18(25)12-17/h3-12,15,27H,13-14H2,1-2H3,(H,28,32)/t15-/m1/s1
InChIKeyZFHLCNHHOUJFMG-OAHLLOKOSA-N
XLogP4.40
TPSA89.78 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.93
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-(3-chloro-4-fluorophenyl)-2-[2-methoxy-4-[[[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]amino]methyl]phenoxy]acetamide with MolForge

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Related Compounds

(1S)-N-[(3,4-dimethoxyphenyl)methyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine
CID 26697749
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine
CID 42919862
N-(3-chloro-4-fluorophenyl)-2-[2-methoxy-4-[(2-pyridin-2-ylethylamino)methyl]phenoxy]acetamide;hydrochloride
CID 47008105
N-(3-chloro-4-fluorophenyl)-2-(2-ethoxyphenoxy)acetamide
CID 2578584
2-[4-[(3-chloro-4-fluoroanilino)methyl]-2-methoxyphenoxy]acetamide
CID 66525668
N-(3,4-dichlorophenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yloxy)acetamide
CID 9355719
N-[(4-butoxy-3-ethoxyphenyl)methyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine
CID 119164163
2-[4-[(2-chloroanilino)methyl]-2-methoxyphenoxy]-N-(4-fluorophenyl)acetamide
CID 126381244
2-(2-chloro-4-phenylphenoxy)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide
CID 134030744
N-(3,4-dichlorophenyl)-2-(2-methoxy-4-propan-2-ylphenoxy)acetamide
CID 129156953
N-(3-chloro-4-fluorophenyl)-2-[2-methoxy-4-(pyrrolidine-1-carbothioyl)phenoxy]acetamide
CID 126246243
N-(3-chloro-4-fluorophenyl)-2-(5-formyl-2-methoxyphenoxy)acetamide
CID 7611560

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-2-[2-methoxy-4-[[[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]amino]methyl]phenoxy]acetamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-2-[2-methoxy-4-[[[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]amino]methyl]phenoxy]acetamide (CID 26697829) is N-(3-chloro-4-fluorophenyl)-2-[2-methoxy-4-[[[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]amino]methyl]phenoxy]acetamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-2-[2-methoxy-4-[[[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]amino]methyl]phenoxy]acetamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-2-[2-methoxy-4-[[[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]amino]methyl]phenoxy]acetamide is COc1cc(CN[C@H](C)c2nnc3ccccn23)ccc1OCC(=O)Nc1ccc(F)c(Cl)c1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-2-[2-methoxy-4-[[[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]amino]methyl]phenoxy]acetamide?
The InChIKey is ZFHLCNHHOUJFMG-OAHLLOKOSA-N. The full InChI is InChI=1S/C24H23ClFN5O3/c1-15(24-30-29-22-5-3-4-10-31(22)24)27-13-16-6-9-20(21(11-16)33-2)34-14-23(32)28-17-7-8-19(26)18(25)12-17/h3-12,15,27H,13-14H2,1-2H3,(H,28,32)/t15-/m1/s1.
What are the key properties of N-(3-chloro-4-fluorophenyl)-2-[2-methoxy-4-[[[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]amino]methyl]phenoxy]acetamide?
N-(3-chloro-4-fluorophenyl)-2-[2-methoxy-4-[[[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]amino]methyl]phenoxy]acetamide has a molecular weight of 483.93 g/mol, XLogP of 4.40, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-2-[2-methoxy-4-[[[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]amino]methyl]phenoxy]acetamide is sourced from PubChem (CID 26697829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).