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

C19H14ClF2N5O — CID 146342817

IUPACN-[3-chloro-2-[2-(difluoromethyl)phenyl]-1H-indol-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide
SMILESCn1ncnc1C(=O)Nc1ccc2c(Cl)c(-c3ccccc3C(F)F)[nH]c2c1
InChIInChI=1S/C19H14ClF2N5O/c1-27-18(23-9-24-27)19(28)25-10-6-7-13-14(8-10)26-16(15(13)20)11-4-2-3-5-12(11)17(21)22/h2-9,17,26H,1H3,(H,25,28)
InChIKeyDKNFPIBTVLRLHS-UHFFFAOYSA-N
MW401.80 g/mol
LogP4.81
Rot. Bonds4

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

N-[3-chloro-2-[2-(difluoromethyl)phenyl]-1H-indol-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide (PubChem CID 146342817) has the molecular formula C19H14ClF2N5O and a molecular weight of 401.80 g/mol. Its IUPAC name is N-[3-chloro-2-[2-(difluoromethyl)phenyl]-1H-indol-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-chloro-2-[2-(difluoromethyl)phenyl]-1H-indol-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide
PubChem CID146342817
Molecular FormulaC19H14ClF2N5O
Molecular Weight401.80 g/mol
Exact Mass401.09
IUPAC NameN-[3-chloro-2-[2-(difluoromethyl)phenyl]-1H-indol-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide
SMILESCn1ncnc1C(=O)Nc1ccc2c(Cl)c(-c3ccccc3C(F)F)[nH]c2c1
InChIInChI=1S/C19H14ClF2N5O/c1-27-18(23-9-24-27)19(28)25-10-6-7-13-14(8-10)26-16(15(13)20)11-4-2-3-5-12(11)17(21)22/h2-9,17,26H,1H3,(H,25,28)
InChIKeyDKNFPIBTVLRLHS-UHFFFAOYSA-N
XLogP4.81
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.80
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-2-[2-(difluoromethyl)phenyl]-1H-indol-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide?
The IUPAC name of N-[3-chloro-2-[2-(difluoromethyl)phenyl]-1H-indol-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide (CID 146342817) is N-[3-chloro-2-[2-(difluoromethyl)phenyl]-1H-indol-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N-[3-chloro-2-[2-(difluoromethyl)phenyl]-1H-indol-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N-[3-chloro-2-[2-(difluoromethyl)phenyl]-1H-indol-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide is Cn1ncnc1C(=O)Nc1ccc2c(Cl)c(-c3ccccc3C(F)F)[nH]c2c1.
What is the InChIKey of N-[3-chloro-2-[2-(difluoromethyl)phenyl]-1H-indol-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide?
The InChIKey is DKNFPIBTVLRLHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClF2N5O/c1-27-18(23-9-24-27)19(28)25-10-6-7-13-14(8-10)26-16(15(13)20)11-4-2-3-5-12(11)17(21)22/h2-9,17,26H,1H3,(H,25,28).
What are the key properties of N-[3-chloro-2-[2-(difluoromethyl)phenyl]-1H-indol-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide?
N-[3-chloro-2-[2-(difluoromethyl)phenyl]-1H-indol-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide has a molecular weight of 401.80 g/mol, XLogP of 4.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-2-[2-(difluoromethyl)phenyl]-1H-indol-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 146342817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).