N-[2-[[4-(difluoromethoxy)-3-fluorophenyl]methyl]triazol-4-yl]-2-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]acetamide

C22H18F6N4O2 — CID 118962012

IUPACN-[2-[[4-(difluoromethoxy)-3-fluorophenyl]methyl]triazol-4-yl]-2-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]acetamide
SMILESO=C(Cc1ccc(C2(C(F)(F)F)CC2)cc1)Nc1cnn(Cc2ccc(OC(F)F)c(F)c2)n1
InChIInChI=1S/C22H18F6N4O2/c23-16-9-14(3-6-17(16)34-20(24)25)12-32-29-11-18(31-32)30-19(33)10-13-1-4-15(5-2-13)21(7-8-21)22(26,27)28/h1-6,9,11,20H,7-8,10,12H2,(H,30,31,33)
InChIKeyBEIIBEJGGKCISN-UHFFFAOYSA-N
MW484.40 g/mol
LogP4.84
Rot. Bonds8

About N-[2-[[4-(difluoromethoxy)-3-fluorophenyl]methyl]triazol-4-yl]-2-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]acetamide

N-[2-[[4-(difluoromethoxy)-3-fluorophenyl]methyl]triazol-4-yl]-2-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]acetamide (PubChem CID 118962012) has the molecular formula C22H18F6N4O2 and a molecular weight of 484.40 g/mol. Its IUPAC name is N-[2-[[4-(difluoromethoxy)-3-fluorophenyl]methyl]triazol-4-yl]-2-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-[[4-(difluoromethoxy)-3-fluorophenyl]methyl]triazol-4-yl]-2-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]acetamide
PubChem CID118962012
Molecular FormulaC22H18F6N4O2
Molecular Weight484.40 g/mol
Exact Mass484.13
IUPAC NameN-[2-[[4-(difluoromethoxy)-3-fluorophenyl]methyl]triazol-4-yl]-2-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]acetamide
SMILESO=C(Cc1ccc(C2(C(F)(F)F)CC2)cc1)Nc1cnn(Cc2ccc(OC(F)F)c(F)c2)n1
InChIInChI=1S/C22H18F6N4O2/c23-16-9-14(3-6-17(16)34-20(24)25)12-32-29-11-18(31-32)30-19(33)10-13-1-4-15(5-2-13)21(7-8-21)22(26,27)28/h1-6,9,11,20H,7-8,10,12H2,(H,30,31,33)
InChIKeyBEIIBEJGGKCISN-UHFFFAOYSA-N
XLogP4.84
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.40
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-tert-butylphenyl)-N-[2-[[4-(difluoromethoxy)-3-fluorophenyl]methyl]triazol-4-yl]acetamide
CID 118962063
N-[2-[[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]triazol-4-yl]-2-(1-methylindazol-5-yl)acetamide
CID 118962067
N-[2-[(3,4-difluorophenyl)methyl]triazol-4-yl]-2-[4-(2-methoxyethyl)phenyl]acetamide
CID 135260043
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-(difluoromethoxy)phenyl]methyl]triazol-4-yl]-2-(1-methylindol-5-yl)acetamide
CID 118962161
N-[2-[(3,4-difluorophenyl)methyl]triazol-4-yl]-2-(2-methyl-1H-indol-5-yl)acetamide
CID 118962131
2-[2-[[4-(difluoromethoxy)-3-fluorophenyl]methyl]triazol-4-yl]-2-(6-pyrrolidin-1-yl-3-pyridinyl)acetamide
CID 151048017
2-(1-ethylindazol-5-yl)-N-[2-[(4-fluoro-3-methoxyphenyl)methyl]triazol-4-yl]acetamide
CID 118961979
2-(1-methylindol-5-yl)-N-[2-[[4-(trifluoromethoxy)phenyl]methyl]triazol-4-yl]acetamide
CID 118962040
2-[2-[[4-(difluoromethoxy)-3-fluorophenyl]methyl]triazol-4-yl]-2-(1-methylindazol-5-yl)acetamide
CID 150910088
(2S)-1-[[4-(difluoromethoxy)-3-fluorophenyl]methyl]pyrrolidine-2-carboxylic acid
CID 122038883
1-[[4-(difluoromethoxy)-3-fluorophenyl]methyl]-3-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]urea
CID 138010386

Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-(difluoromethoxy)-3-fluorophenyl]methyl]triazol-4-yl]-2-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]acetamide?
The IUPAC name of N-[2-[[4-(difluoromethoxy)-3-fluorophenyl]methyl]triazol-4-yl]-2-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]acetamide (CID 118962012) is N-[2-[[4-(difluoromethoxy)-3-fluorophenyl]methyl]triazol-4-yl]-2-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]acetamide.
What is the SMILES notation for N-[2-[[4-(difluoromethoxy)-3-fluorophenyl]methyl]triazol-4-yl]-2-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]acetamide?
The canonical SMILES for N-[2-[[4-(difluoromethoxy)-3-fluorophenyl]methyl]triazol-4-yl]-2-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]acetamide is O=C(Cc1ccc(C2(C(F)(F)F)CC2)cc1)Nc1cnn(Cc2ccc(OC(F)F)c(F)c2)n1.
What is the InChIKey of N-[2-[[4-(difluoromethoxy)-3-fluorophenyl]methyl]triazol-4-yl]-2-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]acetamide?
The InChIKey is BEIIBEJGGKCISN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F6N4O2/c23-16-9-14(3-6-17(16)34-20(24)25)12-32-29-11-18(31-32)30-19(33)10-13-1-4-15(5-2-13)21(7-8-21)22(26,27)28/h1-6,9,11,20H,7-8,10,12H2,(H,30,31,33).
What are the key properties of N-[2-[[4-(difluoromethoxy)-3-fluorophenyl]methyl]triazol-4-yl]-2-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]acetamide?
N-[2-[[4-(difluoromethoxy)-3-fluorophenyl]methyl]triazol-4-yl]-2-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]acetamide has a molecular weight of 484.40 g/mol, XLogP of 4.84, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-(difluoromethoxy)-3-fluorophenyl]methyl]triazol-4-yl]-2-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]acetamide is sourced from PubChem (CID 118962012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).