N-(2-propoxyphenyl)-1-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide

C19H17F3N4O2 — CID 30886940

IUPACN-(2-propoxyphenyl)-1-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide
SMILESCCCOc1ccccc1NC(=O)c1cn(-c2ccccc2C(F)(F)F)nn1
InChIInChI=1S/C19H17F3N4O2/c1-2-11-28-17-10-6-4-8-14(17)23-18(27)15-12-26(25-24-15)16-9-5-3-7-13(16)19(20,21)22/h3-10,12H,2,11H2,1H3,(H,23,27)
InChIKeyUNNOETQLSJAOBR-UHFFFAOYSA-N
MW390.37 g/mol
LogP4.33
Rot. Bonds6

About N-(2-propoxyphenyl)-1-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide

N-(2-propoxyphenyl)-1-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide (PubChem CID 30886940) has the molecular formula C19H17F3N4O2 and a molecular weight of 390.37 g/mol. Its IUPAC name is N-(2-propoxyphenyl)-1-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-propoxyphenyl)-1-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide
PubChem CID30886940
Molecular FormulaC19H17F3N4O2
Molecular Weight390.37 g/mol
Exact Mass390.13
IUPAC NameN-(2-propoxyphenyl)-1-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide
SMILESCCCOc1ccccc1NC(=O)c1cn(-c2ccccc2C(F)(F)F)nn1
InChIInChI=1S/C19H17F3N4O2/c1-2-11-28-17-10-6-4-8-14(17)23-18(27)15-12-26(25-24-15)16-9-5-3-7-13(16)19(20,21)22/h3-10,12H,2,11H2,1H3,(H,23,27)
InChIKeyUNNOETQLSJAOBR-UHFFFAOYSA-N
XLogP4.33
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.37
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-benzyl-N-[(3S)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]triazole-4-carboxamide
CID 118557468
N-[4-[(2S)-morpholin-2-yl]phenyl]-2-[4-(trifluoromethoxy)phenyl]triazole-4-carboxamide
CID 73386706
2-[4-(difluoromethoxy)phenyl]-N-[4-[(2S)-morpholin-2-yl]phenyl]triazole-4-carboxamide
CID 73425885
1-[3-(difluoromethoxy)phenyl]-N-[4-[(2S)-morpholin-2-yl]phenyl]triazole-4-carboxamide
CID 73426213
N-[2-(3-methylphenoxy)phenyl]pyrazine-2-carboxamide
CID 2456913
N-(2,6-dimethylphenyl)-1-(2-methoxyphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxamide
CID 16649224
N-(2-ethyl-6-methylphenyl)-1-(2-methoxyphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxamide
CID 16649239
1-(2-ethylphenyl)-N-(2-methoxyphenyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 1235418
1-[4-(difluoromethoxy)phenyl]-N-[2-fluoro-4-[(2S)-morpholin-2-yl]phenyl]triazole-4-carboxamide
CID 71086756
1-(4-methoxyphenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]triazole-4-carboxamide
CID 73426115
1-(4-ethoxyphenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]triazole-4-carboxamide
CID 73426116
1-(3-methoxyphenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]triazole-4-carboxamide
CID 73426119

Frequently Asked Questions

What is the IUPAC name of N-(2-propoxyphenyl)-1-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide?
The IUPAC name of N-(2-propoxyphenyl)-1-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide (CID 30886940) is N-(2-propoxyphenyl)-1-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide.
What is the SMILES notation for N-(2-propoxyphenyl)-1-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide?
The canonical SMILES for N-(2-propoxyphenyl)-1-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide is CCCOc1ccccc1NC(=O)c1cn(-c2ccccc2C(F)(F)F)nn1.
What is the InChIKey of N-(2-propoxyphenyl)-1-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide?
The InChIKey is UNNOETQLSJAOBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N4O2/c1-2-11-28-17-10-6-4-8-14(17)23-18(27)15-12-26(25-24-15)16-9-5-3-7-13(16)19(20,21)22/h3-10,12H,2,11H2,1H3,(H,23,27).
What are the key properties of N-(2-propoxyphenyl)-1-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide?
N-(2-propoxyphenyl)-1-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide has a molecular weight of 390.37 g/mol, XLogP of 4.33, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-propoxyphenyl)-1-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide is sourced from PubChem (CID 30886940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).