N-[2-[2-(difluoromethyl)-5-fluorophenyl]-1H-indol-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide

C19H14F3N5O — CID 142414636

IUPACN-[2-[2-(difluoromethyl)-5-fluorophenyl]-1H-indol-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide
SMILESCn1ncnc1C(=O)Nc1ccc2cc(-c3cc(F)ccc3C(F)F)[nH]c2c1
InChIInChI=1S/C19H14F3N5O/c1-27-18(23-9-24-27)19(28)25-12-4-2-10-6-16(26-15(10)8-12)14-7-11(20)3-5-13(14)17(21)22/h2-9,17,26H,1H3,(H,25,28)
InChIKeyUTWLLVNDRQYOBM-UHFFFAOYSA-N
MW385.35 g/mol
LogP4.29
Rot. Bonds4

About N-[2-[2-(difluoromethyl)-5-fluorophenyl]-1H-indol-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide

N-[2-[2-(difluoromethyl)-5-fluorophenyl]-1H-indol-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide (PubChem CID 142414636) has the molecular formula C19H14F3N5O and a molecular weight of 385.35 g/mol. Its IUPAC name is N-[2-[2-(difluoromethyl)-5-fluorophenyl]-1H-indol-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(difluoromethyl)-5-fluorophenyl]-1H-indol-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide
PubChem CID142414636
Molecular FormulaC19H14F3N5O
Molecular Weight385.35 g/mol
Exact Mass385.12
IUPAC NameN-[2-[2-(difluoromethyl)-5-fluorophenyl]-1H-indol-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide
SMILESCn1ncnc1C(=O)Nc1ccc2cc(-c3cc(F)ccc3C(F)F)[nH]c2c1
InChIInChI=1S/C19H14F3N5O/c1-27-18(23-9-24-27)19(28)25-12-4-2-10-6-16(26-15(10)8-12)14-7-11(20)3-5-13(14)17(21)22/h2-9,17,26H,1H3,(H,25,28)
InChIKeyUTWLLVNDRQYOBM-UHFFFAOYSA-N
XLogP4.29
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.35
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(difluoromethyl)-5-fluorophenyl]-1H-indol-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide?
The IUPAC name of N-[2-[2-(difluoromethyl)-5-fluorophenyl]-1H-indol-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide (CID 142414636) is N-[2-[2-(difluoromethyl)-5-fluorophenyl]-1H-indol-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N-[2-[2-(difluoromethyl)-5-fluorophenyl]-1H-indol-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N-[2-[2-(difluoromethyl)-5-fluorophenyl]-1H-indol-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide is Cn1ncnc1C(=O)Nc1ccc2cc(-c3cc(F)ccc3C(F)F)[nH]c2c1.
What is the InChIKey of N-[2-[2-(difluoromethyl)-5-fluorophenyl]-1H-indol-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide?
The InChIKey is UTWLLVNDRQYOBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3N5O/c1-27-18(23-9-24-27)19(28)25-12-4-2-10-6-16(26-15(10)8-12)14-7-11(20)3-5-13(14)17(21)22/h2-9,17,26H,1H3,(H,25,28).
What are the key properties of N-[2-[2-(difluoromethyl)-5-fluorophenyl]-1H-indol-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide?
N-[2-[2-(difluoromethyl)-5-fluorophenyl]-1H-indol-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide has a molecular weight of 385.35 g/mol, XLogP of 4.29, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(difluoromethyl)-5-fluorophenyl]-1H-indol-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 142414636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).