N-[5-(difluoromethyl)-1-methyltriazol-4-yl]-5-methoxy-2,3-dihydro-1H-indene-1-carboxamide

C15H16F2N4O2 — CID 136569324

IUPACN-[5-(difluoromethyl)-1-methyltriazol-4-yl]-5-methoxy-2,3-dihydro-1H-indene-1-carboxamide
SMILESCOc1ccc2c(c1)CCC2C(=O)Nc1nnn(C)c1C(F)F
InChIInChI=1S/C15H16F2N4O2/c1-21-12(13(16)17)14(19-20-21)18-15(22)11-5-3-8-7-9(23-2)4-6-10(8)11/h4,6-7,11,13H,3,5H2,1-2H3,(H,18,22)
InChIKeySKBTVOBZGAVXIK-UHFFFAOYSA-N
MW322.32 g/mol
LogP2.43
Rot. Bonds4

About N-[5-(difluoromethyl)-1-methyltriazol-4-yl]-5-methoxy-2,3-dihydro-1H-indene-1-carboxamide

N-[5-(difluoromethyl)-1-methyltriazol-4-yl]-5-methoxy-2,3-dihydro-1H-indene-1-carboxamide (PubChem CID 136569324) has the molecular formula C15H16F2N4O2 and a molecular weight of 322.32 g/mol. Its IUPAC name is N-[5-(difluoromethyl)-1-methyltriazol-4-yl]-5-methoxy-2,3-dihydro-1H-indene-1-carboxamide.

Molecular Properties

Compound NameN-[5-(difluoromethyl)-1-methyltriazol-4-yl]-5-methoxy-2,3-dihydro-1H-indene-1-carboxamide
PubChem CID136569324
Molecular FormulaC15H16F2N4O2
Molecular Weight322.32 g/mol
Exact Mass322.12
IUPAC NameN-[5-(difluoromethyl)-1-methyltriazol-4-yl]-5-methoxy-2,3-dihydro-1H-indene-1-carboxamide
SMILESCOc1ccc2c(c1)CCC2C(=O)Nc1nnn(C)c1C(F)F
InChIInChI=1S/C15H16F2N4O2/c1-21-12(13(16)17)14(19-20-21)18-15(22)11-5-3-8-7-9(23-2)4-6-10(8)11/h4,6-7,11,13H,3,5H2,1-2H3,(H,18,22)
InChIKeySKBTVOBZGAVXIK-UHFFFAOYSA-N
XLogP2.43
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.32
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[5-(difluoromethyl)-1-methyltriazol-4-yl]-5-methoxy-2,3-dihydro-1H-indene-1-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-[5-(difluoromethyl)-1-methyltriazol-4-yl]-5-methoxy-2,3-dihydro-1H-indene-1-carboxamide?
The IUPAC name of N-[5-(difluoromethyl)-1-methyltriazol-4-yl]-5-methoxy-2,3-dihydro-1H-indene-1-carboxamide (CID 136569324) is N-[5-(difluoromethyl)-1-methyltriazol-4-yl]-5-methoxy-2,3-dihydro-1H-indene-1-carboxamide.
What is the SMILES notation for N-[5-(difluoromethyl)-1-methyltriazol-4-yl]-5-methoxy-2,3-dihydro-1H-indene-1-carboxamide?
The canonical SMILES for N-[5-(difluoromethyl)-1-methyltriazol-4-yl]-5-methoxy-2,3-dihydro-1H-indene-1-carboxamide is COc1ccc2c(c1)CCC2C(=O)Nc1nnn(C)c1C(F)F.
What is the InChIKey of N-[5-(difluoromethyl)-1-methyltriazol-4-yl]-5-methoxy-2,3-dihydro-1H-indene-1-carboxamide?
The InChIKey is SKBTVOBZGAVXIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N4O2/c1-21-12(13(16)17)14(19-20-21)18-15(22)11-5-3-8-7-9(23-2)4-6-10(8)11/h4,6-7,11,13H,3,5H2,1-2H3,(H,18,22).
What are the key properties of N-[5-(difluoromethyl)-1-methyltriazol-4-yl]-5-methoxy-2,3-dihydro-1H-indene-1-carboxamide?
N-[5-(difluoromethyl)-1-methyltriazol-4-yl]-5-methoxy-2,3-dihydro-1H-indene-1-carboxamide has a molecular weight of 322.32 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(difluoromethyl)-1-methyltriazol-4-yl]-5-methoxy-2,3-dihydro-1H-indene-1-carboxamide is sourced from PubChem (CID 136569324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).