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

C19H15F2N5O — CID 142414614

IUPACN-[2-[2-(difluoromethyl)phenyl]-1H-indol-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide
SMILESCn1ncnc1C(=O)Nc1ccc2cc(-c3ccccc3C(F)F)[nH]c2c1
InChIInChI=1S/C19H15F2N5O/c1-26-18(22-10-23-26)19(27)24-12-7-6-11-8-16(25-15(11)9-12)13-4-2-3-5-14(13)17(20)21/h2-10,17,25H,1H3,(H,24,27)
InChIKeyRAKCPYDTSAOOBF-UHFFFAOYSA-N
MW367.36 g/mol
LogP4.15
Rot. Bonds4

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

N-[2-[2-(difluoromethyl)phenyl]-1H-indol-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide (PubChem CID 142414614) has the molecular formula C19H15F2N5O and a molecular weight of 367.36 g/mol. Its IUPAC name is N-[2-[2-(difluoromethyl)phenyl]-1H-indol-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(difluoromethyl)phenyl]-1H-indol-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide
PubChem CID142414614
Molecular FormulaC19H15F2N5O
Molecular Weight367.36 g/mol
Exact Mass367.12
IUPAC NameN-[2-[2-(difluoromethyl)phenyl]-1H-indol-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide
SMILESCn1ncnc1C(=O)Nc1ccc2cc(-c3ccccc3C(F)F)[nH]c2c1
InChIInChI=1S/C19H15F2N5O/c1-26-18(22-10-23-26)19(27)24-12-7-6-11-8-16(25-15(11)9-12)13-4-2-3-5-14(13)17(20)21/h2-10,17,25H,1H3,(H,24,27)
InChIKeyRAKCPYDTSAOOBF-UHFFFAOYSA-N
XLogP4.15
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.36
LogP ≤ 54.15
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)phenyl]-1H-indol-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide?
The IUPAC name of N-[2-[2-(difluoromethyl)phenyl]-1H-indol-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide (CID 142414614) is N-[2-[2-(difluoromethyl)phenyl]-1H-indol-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N-[2-[2-(difluoromethyl)phenyl]-1H-indol-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N-[2-[2-(difluoromethyl)phenyl]-1H-indol-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide is Cn1ncnc1C(=O)Nc1ccc2cc(-c3ccccc3C(F)F)[nH]c2c1.
What is the InChIKey of N-[2-[2-(difluoromethyl)phenyl]-1H-indol-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide?
The InChIKey is RAKCPYDTSAOOBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2N5O/c1-26-18(22-10-23-26)19(27)24-12-7-6-11-8-16(25-15(11)9-12)13-4-2-3-5-14(13)17(20)21/h2-10,17,25H,1H3,(H,24,27).
What are the key properties of N-[2-[2-(difluoromethyl)phenyl]-1H-indol-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide?
N-[2-[2-(difluoromethyl)phenyl]-1H-indol-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide has a molecular weight of 367.36 g/mol, XLogP of 4.15, 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)phenyl]-1H-indol-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 142414614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).