N-[2-[(3,4-difluorophenyl)methyl]triazol-4-yl]-2-[4-(2-methoxyethyl)phenyl]acetamide

C20H20F2N4O2 — CID 135260043

IUPACN-[2-[(3,4-difluorophenyl)methyl]triazol-4-yl]-2-[4-(2-methoxyethyl)phenyl]acetamide
SMILESCOCCc1ccc(CC(=O)Nc2cnn(Cc3ccc(F)c(F)c3)n2)cc1
InChIInChI=1S/C20H20F2N4O2/c1-28-9-8-14-2-4-15(5-3-14)11-20(27)24-19-12-23-26(25-19)13-16-6-7-17(21)18(22)10-16/h2-7,10,12H,8-9,11,13H2,1H3,(H,24,25,27)
InChIKeyRLWYDHSLPFYRNZ-UHFFFAOYSA-N
MW386.40 g/mol
LogP2.97
Rot. Bonds8

About N-[2-[(3,4-difluorophenyl)methyl]triazol-4-yl]-2-[4-(2-methoxyethyl)phenyl]acetamide

N-[2-[(3,4-difluorophenyl)methyl]triazol-4-yl]-2-[4-(2-methoxyethyl)phenyl]acetamide (PubChem CID 135260043) has the molecular formula C20H20F2N4O2 and a molecular weight of 386.40 g/mol. Its IUPAC name is N-[2-[(3,4-difluorophenyl)methyl]triazol-4-yl]-2-[4-(2-methoxyethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[2-[(3,4-difluorophenyl)methyl]triazol-4-yl]-2-[4-(2-methoxyethyl)phenyl]acetamide
PubChem CID135260043
Molecular FormulaC20H20F2N4O2
Molecular Weight386.40 g/mol
Exact Mass386.16
IUPAC NameN-[2-[(3,4-difluorophenyl)methyl]triazol-4-yl]-2-[4-(2-methoxyethyl)phenyl]acetamide
SMILESCOCCc1ccc(CC(=O)Nc2cnn(Cc3ccc(F)c(F)c3)n2)cc1
InChIInChI=1S/C20H20F2N4O2/c1-28-9-8-14-2-4-15(5-3-14)11-20(27)24-19-12-23-26(25-19)13-16-6-7-17(21)18(22)10-16/h2-7,10,12H,8-9,11,13H2,1H3,(H,24,25,27)
InChIKeyRLWYDHSLPFYRNZ-UHFFFAOYSA-N
XLogP2.97
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.40
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[(3,4-difluorophenyl)methyl]triazol-4-yl]-2-(2-methyl-1H-indol-5-yl)acetamide
CID 118962131
2-(4-tert-butylphenyl)-N-[2-[[4-(difluoromethoxy)-3-fluorophenyl]methyl]triazol-4-yl]acetamide
CID 118962063
2-(1-ethylindazol-5-yl)-N-[2-[(4-fluoro-3-methoxyphenyl)methyl]triazol-4-yl]acetamide
CID 118961979
N-[2-[(4-cyano-3-fluorophenyl)methyl]triazol-4-yl]-2-(1,3-dimethylindol-5-yl)acetamide
CID 118962086
N-[2-[[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]triazol-4-yl]-2-(1-methylindazol-5-yl)acetamide
CID 118962067
2-(1,3-dimethylindol-5-yl)-N-[2-[(3-fluoro-2-methoxyphenyl)methyl]triazol-4-yl]acetamide
CID 154403859
1,2-difluoro-4-(2-methoxyethyl)benzene
CID 18372069
N-[2-[[4-(difluoromethoxy)-3-fluorophenyl]methyl]triazol-4-yl]-2-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]acetamide
CID 118962012
2-(4-tert-butylphenyl)-N-[2-[[4-(difluoromethoxy)phenyl]methyl]triazol-4-yl]acetamide
CID 118962107
N-[2-[(4-cyano-3-fluorophenyl)methyl]triazol-4-yl]-2-[3-methyl-4-(2,2,2-trifluoroethoxy)phenyl]acetamide
CID 135259858
N-[2-[(4-cyano-3-fluorophenyl)methyl]triazol-4-yl]-2-(6-pyrrolidin-1-yl-3-pyridinyl)acetamide
CID 118962189
2-(1-methylindol-5-yl)-N-[2-[[4-(trifluoromethoxy)phenyl]methyl]triazol-4-yl]acetamide
CID 118962040

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3,4-difluorophenyl)methyl]triazol-4-yl]-2-[4-(2-methoxyethyl)phenyl]acetamide?
The IUPAC name of N-[2-[(3,4-difluorophenyl)methyl]triazol-4-yl]-2-[4-(2-methoxyethyl)phenyl]acetamide (CID 135260043) is N-[2-[(3,4-difluorophenyl)methyl]triazol-4-yl]-2-[4-(2-methoxyethyl)phenyl]acetamide.
What is the SMILES notation for N-[2-[(3,4-difluorophenyl)methyl]triazol-4-yl]-2-[4-(2-methoxyethyl)phenyl]acetamide?
The canonical SMILES for N-[2-[(3,4-difluorophenyl)methyl]triazol-4-yl]-2-[4-(2-methoxyethyl)phenyl]acetamide is COCCc1ccc(CC(=O)Nc2cnn(Cc3ccc(F)c(F)c3)n2)cc1.
What is the InChIKey of N-[2-[(3,4-difluorophenyl)methyl]triazol-4-yl]-2-[4-(2-methoxyethyl)phenyl]acetamide?
The InChIKey is RLWYDHSLPFYRNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N4O2/c1-28-9-8-14-2-4-15(5-3-14)11-20(27)24-19-12-23-26(25-19)13-16-6-7-17(21)18(22)10-16/h2-7,10,12H,8-9,11,13H2,1H3,(H,24,25,27).
What are the key properties of N-[2-[(3,4-difluorophenyl)methyl]triazol-4-yl]-2-[4-(2-methoxyethyl)phenyl]acetamide?
N-[2-[(3,4-difluorophenyl)methyl]triazol-4-yl]-2-[4-(2-methoxyethyl)phenyl]acetamide has a molecular weight of 386.40 g/mol, XLogP of 2.97, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3,4-difluorophenyl)methyl]triazol-4-yl]-2-[4-(2-methoxyethyl)phenyl]acetamide is sourced from PubChem (CID 135260043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).