N-[4-chloro-3-(trifluoromethoxy)phenyl]-2-[4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]acetamide

C21H14ClF3N4O2 — CID 176939269

IUPACN-[4-chloro-3-(trifluoromethoxy)phenyl]-2-[4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]acetamide
SMILESO=C(Cc1ccc(-c2ccn3ncnc3c2)cc1)Nc1ccc(Cl)c(OC(F)(F)F)c1
InChIInChI=1S/C21H14ClF3N4O2/c22-17-6-5-16(11-18(17)31-21(23,24)25)28-20(30)9-13-1-3-14(4-2-13)15-7-8-29-19(10-15)26-12-27-29/h1-8,10-12H,9H2,(H,28,30)
InChIKeyCDSWQOJKMXVDGU-UHFFFAOYSA-N
MW446.82 g/mol
LogP5.13
Rot. Bonds5

About N-[4-chloro-3-(trifluoromethoxy)phenyl]-2-[4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]acetamide

N-[4-chloro-3-(trifluoromethoxy)phenyl]-2-[4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]acetamide (PubChem CID 176939269) has the molecular formula C21H14ClF3N4O2 and a molecular weight of 446.82 g/mol. Its IUPAC name is N-[4-chloro-3-(trifluoromethoxy)phenyl]-2-[4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-chloro-3-(trifluoromethoxy)phenyl]-2-[4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]acetamide
PubChem CID176939269
Molecular FormulaC21H14ClF3N4O2
Molecular Weight446.82 g/mol
Exact Mass446.08
IUPAC NameN-[4-chloro-3-(trifluoromethoxy)phenyl]-2-[4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]acetamide
SMILESO=C(Cc1ccc(-c2ccn3ncnc3c2)cc1)Nc1ccc(Cl)c(OC(F)(F)F)c1
InChIInChI=1S/C21H14ClF3N4O2/c22-17-6-5-16(11-18(17)31-21(23,24)25)28-20(30)9-13-1-3-14(4-2-13)15-7-8-29-19(10-15)26-12-27-29/h1-8,10-12H,9H2,(H,28,30)
InChIKeyCDSWQOJKMXVDGU-UHFFFAOYSA-N
XLogP5.13
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.82
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-chloro-4-(1,1-difluoroethyl)phenyl]-2-[4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]acetamide
CID 176939050
N-(4-tert-butylphenyl)-2-[4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]acetamide
CID 176939227
N-[4-cyclopropyl-3-(trifluoromethyl)phenyl]-2-[4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]acetamide
CID 176939094
N-[4-(2-oxoethyl)phenyl]-2-[4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]acetamide
CID 176939143
N-(3,4-dichlorophenyl)-2-[4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]acetamide;N-(8-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-2-[4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]acetamide
CID 176939309
N-[3-(1-hydroxy-2-methylpropan-2-yl)phenyl]-2-[4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]acetamide
CID 176939067
2-[4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]acetamide
CID 176939255
propan-2-yl 4-[[2-[4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]acetyl]amino]benzoate
CID 176939177
N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-[4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]acetamide
CID 176939083
2-(4-chlorophenyl)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 2678277
phenyl N-[4-chloro-3-(trifluoromethoxy)phenyl]carbamate
CID 118233955
2-[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]-N-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]acetamide
CID 176939197

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(trifluoromethoxy)phenyl]-2-[4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]acetamide?
The IUPAC name of N-[4-chloro-3-(trifluoromethoxy)phenyl]-2-[4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]acetamide (CID 176939269) is N-[4-chloro-3-(trifluoromethoxy)phenyl]-2-[4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]acetamide.
What is the SMILES notation for N-[4-chloro-3-(trifluoromethoxy)phenyl]-2-[4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]acetamide?
The canonical SMILES for N-[4-chloro-3-(trifluoromethoxy)phenyl]-2-[4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]acetamide is O=C(Cc1ccc(-c2ccn3ncnc3c2)cc1)Nc1ccc(Cl)c(OC(F)(F)F)c1.
What is the InChIKey of N-[4-chloro-3-(trifluoromethoxy)phenyl]-2-[4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]acetamide?
The InChIKey is CDSWQOJKMXVDGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14ClF3N4O2/c22-17-6-5-16(11-18(17)31-21(23,24)25)28-20(30)9-13-1-3-14(4-2-13)15-7-8-29-19(10-15)26-12-27-29/h1-8,10-12H,9H2,(H,28,30).
What are the key properties of N-[4-chloro-3-(trifluoromethoxy)phenyl]-2-[4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]acetamide?
N-[4-chloro-3-(trifluoromethoxy)phenyl]-2-[4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]acetamide has a molecular weight of 446.82 g/mol, XLogP of 5.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(trifluoromethoxy)phenyl]-2-[4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]acetamide is sourced from PubChem (CID 176939269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).